bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride

C76H75ClN18O9S19 — CID 158523988

IUPACbis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride
SMILESC.CC(=O)Cn1cc(C(N)=O)c2cc(-c3n[nH]c4ccsc34)ccc21.Cc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4n[nH]c5ccsc45)ccc32)n1.Cc1cccc(NC(=O)[C@H]2NC3CCC2C3)n1.Cl.NC(=O)c1cn(CC(=O)O)c2ccc(-c3n[nH]c4ccsc34)cc12.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S
InChIInChI=1S/C29H27N7O3S.C17H14N4O2S.C16H12N4O3S.C13H17N3O.CH4.ClH.S9.S7/c1-15-3-2-4-23(31-15)32-29(39)26-17-5-7-18(11-17)36(26)24(37)14-35-13-20(28(30)38)19-12-16(6-8-22(19)35)25-27-21(33-34-25)9-10-40-27;1-9(22)7-21-8-12(17(18)23)11-6-10(2-3-14(11)21)15-16-13(19-20-15)4-5-24-16;17-16(23)10-6-20(7-13(21)22)12-2-1-8(5-9(10)12)14-15-11(18-19-14)3-4-24-15;1-8-3-2-4-11(14-8)16-13(17)12-9-5-6-10(7-9)15-12;;;1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h2-4,6,8-10,12-13,17-18,26H,5,7,11,14H2,1H3,(H2,30,38)(H,33,34)(H,31,32,39);2-6,8H,7H2,1H3,(H2,18,23)(H,19,20);1-6H,7H2,(H2,17,23)(H,18,19)(H,21,22);2-4,9-10,12,15H,5-7H2,1H3,(H,14,16,17);1H4;1H;;/t17?,18?,26-;;;9?,10?,12-;;;;/m0..0..../s1
InChIKeyBYGACOJFTYRUEH-SSJIDLKLSA-N
MW2029.28 g/mol
LogP11.92
Rot. Bonds16

About bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride

bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride (PubChem CID 158523988) has the molecular formula C76H75ClN18O9S19 and a molecular weight of 2029.28 g/mol. Its IUPAC name is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Namebis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride
PubChem CID158523988
Molecular FormulaC76H75ClN18O9S19
Molecular Weight2029.28 g/mol
Exact Mass2026.03
IUPAC Namebis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride
SMILESC.CC(=O)Cn1cc(C(N)=O)c2cc(-c3n[nH]c4ccsc34)ccc21.Cc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4n[nH]c5ccsc45)ccc32)n1.Cc1cccc(NC(=O)[C@H]2NC3CCC2C3)n1.Cl.NC(=O)c1cn(CC(=O)O)c2ccc(-c3n[nH]c4ccsc34)cc12.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S
InChIInChI=1S/C29H27N7O3S.C17H14N4O2S.C16H12N4O3S.C13H17N3O.CH4.ClH.S9.S7/c1-15-3-2-4-23(31-15)32-29(39)26-17-5-7-18(11-17)36(26)24(37)14-35-13-20(28(30)38)19-12-16(6-8-22(19)35)25-27-21(33-34-25)9-10-40-27;1-9(22)7-21-8-12(17(18)23)11-6-10(2-3-14(11)21)15-16-13(19-20-15)4-5-24-16;17-16(23)10-6-20(7-13(21)22)12-2-1-8(5-9(10)12)14-15-11(18-19-14)3-4-24-15;1-8-3-2-4-11(14-8)16-13(17)12-9-5-6-10(7-9)15-12;;;1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h2-4,6,8-10,12-13,17-18,26H,5,7,11,14H2,1H3,(H2,30,38)(H,33,34)(H,31,32,39);2-6,8H,7H2,1H3,(H2,18,23)(H,19,20);1-6H,7H2,(H2,17,23)(H,18,19)(H,21,22);2-4,9-10,12,15H,5-7H2,1H3,(H,14,16,17);1H4;1H;;/t17?,18?,26-;;;9?,10?,12-;;;;/m0..0..../s1
InChIKeyBYGACOJFTYRUEH-SSJIDLKLSA-N
XLogP11.92
TPSA400.79 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002029.28
LogP ≤ 511.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride?
The IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride (CID 158523988) is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride.
What is the SMILES notation for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride?
The canonical SMILES for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride is C.CC(=O)Cn1cc(C(N)=O)c2cc(-c3n[nH]c4ccsc34)ccc21.Cc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4n[nH]c5ccsc45)ccc32)n1.Cc1cccc(NC(=O)[C@H]2NC3CCC2C3)n1.Cl.NC(=O)c1cn(CC(=O)O)c2ccc(-c3n[nH]c4ccsc34)cc12.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S.
What is the InChIKey of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride?
The InChIKey is BYGACOJFTYRUEH-SSJIDLKLSA-N. The full InChI is InChI=1S/C29H27N7O3S.C17H14N4O2S.C16H12N4O3S.C13H17N3O.CH4.ClH.S9.S7/c1-15-3-2-4-23(31-15)32-29(39)26-17-5-7-18(11-17)36(26)24(37)14-35-13-20(28(30)38)19-12-16(6-8-22(19)35)25-27-21(33-34-25)9-10-40-27;1-9(22)7-21-8-12(17(18)23)11-6-10(2-3-14(11)21)15-16-13(19-20-15)4-5-24-16;17-16(23)10-6-20(7-13(21)22)12-2-1-8(5-9(10)12)14-15-11(18-19-14)3-4-24-15;1-8-3-2-4-11(14-8)16-13(17)12-9-5-6-10(7-9)15-12;;;1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h2-4,6,8-10,12-13,17-18,26H,5,7,11,14H2,1H3,(H2,30,38)(H,33,34)(H,31,32,39);2-6,8H,7H2,1H3,(H2,18,23)(H,19,20);1-6H,7H2,(H2,17,23)(H,18,19)(H,21,22);2-4,9-10,12,15H,5-7H2,1H3,(H,14,16,17);1H4;1H;;/t17?,18?,26-;;;9?,10?,12-;;;;/m0..0..../s1.
What are the key properties of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride?
bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride has a molecular weight of 2029.28 g/mol, XLogP of 11.92, 16 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 158523988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).