5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate

C39H47N9O6S2 — CID 157411770

IUPAC5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
SMILESCN(C)c1cnc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CN(C)c1cnc(S(N)(=O)=O)cn1.N#COc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H24N4O3S.C13H13NO.C6H10N4O2S/c1-24(2)17-10-22-19(11-21-17)28(26,27)12-18(25)23-20-15-7-3-5-13(15)9-14-6-4-8-16(14)20;14-8-15-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;1-10(2)5-3-9-6(4-8-5)13(7,11)12/h9-11H,3-8,12H2,1-2H3,(H,23,25);7H,1-6H2;3-4H,1-2H3,(H2,7,11,12)
InChIKeyBOJGVUGCBURCCH-UHFFFAOYSA-N
MW802.00 g/mol
LogP3.65
Rot. Bonds8

About 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate

5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate (PubChem CID 157411770) has the molecular formula C39H47N9O6S2 and a molecular weight of 802.00 g/mol. Its IUPAC name is 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate.

Molecular Properties

Compound Name5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
PubChem CID157411770
Molecular FormulaC39H47N9O6S2
Molecular Weight802.00 g/mol
Exact Mass801.31
IUPAC Name5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
SMILESCN(C)c1cnc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CN(C)c1cnc(S(N)(=O)=O)cn1.N#COc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H24N4O3S.C13H13NO.C6H10N4O2S/c1-24(2)17-10-22-19(11-21-17)28(26,27)12-18(25)23-20-15-7-3-5-13(15)9-14-6-4-8-16(14)20;14-8-15-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;1-10(2)5-3-9-6(4-8-5)13(7,11)12/h9-11H,3-8,12H2,1-2H3,(H,23,25);7H,1-6H2;3-4H,1-2H3,(H2,7,11,12)
InChIKeyBOJGVUGCBURCCH-UHFFFAOYSA-N
XLogP3.65
TPSA214.46 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.00
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate with MolForge

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Related Compounds

5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-3-sulfonamide;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 158130576
5-(diethylaminomethyl)-1-methylpyrazole-3-sulfonamide;1-[5-(diethylaminomethyl)-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 159998125
1-[2-(dimethylamino)ethyl]azetidine-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]azetidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 161002043
4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-sulfonamide;1-[[4-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 160679446
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
CID 159951214
6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 161321963
5-[1-(azetidin-1-yl)ethyl]-1-cyclopropylpyrazole-3-sulfonamide;1-[5-[1-(azetidin-1-yl)ethyl]-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 161229298
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 147824215
2-[4-(2-aminoethyl)phenyl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 158601454
1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate;methyl 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)piperidine-1-carboxylate;methyl 4-sulfamoylpiperidine-1-carboxylate
CID 160995836
2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 164995489
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpyrimidin-2-yl)sulfonylacetamide
CID 160586912

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?
The IUPAC name of 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate (CID 157411770) is 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate.
What is the SMILES notation for 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?
The canonical SMILES for 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate is CN(C)c1cnc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CN(C)c1cnc(S(N)(=O)=O)cn1.N#COc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?
The InChIKey is BOJGVUGCBURCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S.C13H13NO.C6H10N4O2S/c1-24(2)17-10-22-19(11-21-17)28(26,27)12-18(25)23-20-15-7-3-5-13(15)9-14-6-4-8-16(14)20;14-8-15-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;1-10(2)5-3-9-6(4-8-5)13(7,11)12/h9-11H,3-8,12H2,1-2H3,(H,23,25);7H,1-6H2;3-4H,1-2H3,(H2,7,11,12).
What are the key properties of 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?
5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate has a molecular weight of 802.00 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate is sourced from PubChem (CID 157411770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).