(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)

C148H244N5O19S9-5 — CID 158766299

IUPAC(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)
SMILESC/C(N)=C(/SN)C(N)=O.CC(C)(C)S(=O)O.CC(C)(C)S(=O)O.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCC(CCc2ccc(S(C)=O)cc2)CC1.CC1CCC(CCc2ccc3c(c2)CCC3=O)CC1.CC1CCC(CCc2cccc3ncccc23)CC1.CCC1CCC(C)CC1.CCCCOc1cccc(CCC2CCC(C)CC2)c1.CCOc1cccc(CCC2CCC(C)CC2)c1.Cc1cc(CCC2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N.C19H30O.C18H23N.C18H24O.C17H26O.C16H24OS.C9H18.C4H9N3OS.7C4H10O2S/c1-14-7-9-16(10-8-14)11-12-17-13-15(2)20-19-6-4-3-5-18(17)19;1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17;1-14-7-9-15(10-8-14)11-12-16-4-2-6-18-17(16)5-3-13-19-18;1-13-2-4-14(5-3-13)6-7-15-8-10-17-16(12-15)9-11-18(17)19;1-3-18-17-6-4-5-16(13-17)12-11-15-9-7-14(2)8-10-15;1-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)18(2)17;1-3-9-6-4-8(2)5-7-9;1-2(5)3(9-7)4(6)8;7*1-4(2,3)7(5)6/h3-6,13-14,16H,7-12H2,1-2H3;5-7,15-17H,3-4,8-14H2,1-2H3;2-6,13-15H,7-12H2,1H3;8,10,12-14H,2-7,9,11H2,1H3;4-6,13-15H,3,7-12H2,1-2H3;9-14H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;5,7H2,1H3,(H2,6,8);7*1-3H3,(H,5,6)/p-5/b;;;;;;;3-2-;;;;;;;
InChIKeyFQPFVKRFKDLOCO-GSNDZUEOSA-I
MW2686.20 g/mol
LogP37.35
Rot. Bonds28

About (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)

(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid) (PubChem CID 158766299) has the molecular formula C148H244N5O19S9-5 and a molecular weight of 2686.20 g/mol. Its IUPAC name is (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid).

Molecular Properties

Compound Name(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)
PubChem CID158766299
Molecular FormulaC148H244N5O19S9-5
Molecular Weight2686.20 g/mol
Exact Mass2683.58
IUPAC Name(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)
SMILESC/C(N)=C(/SN)C(N)=O.CC(C)(C)S(=O)O.CC(C)(C)S(=O)O.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCC(CCc2ccc(S(C)=O)cc2)CC1.CC1CCC(CCc2ccc3c(c2)CCC3=O)CC1.CC1CCC(CCc2cccc3ncccc23)CC1.CCC1CCC(C)CC1.CCCCOc1cccc(CCC2CCC(C)CC2)c1.CCOc1cccc(CCC2CCC(C)CC2)c1.Cc1cc(CCC2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N.C19H30O.C18H23N.C18H24O.C17H26O.C16H24OS.C9H18.C4H9N3OS.7C4H10O2S/c1-14-7-9-16(10-8-14)11-12-17-13-15(2)20-19-6-4-3-5-18(17)19;1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17;1-14-7-9-15(10-8-14)11-12-16-4-2-6-18-17(16)5-3-13-19-18;1-13-2-4-14(5-3-13)6-7-15-8-10-17-16(12-15)9-11-18(17)19;1-3-18-17-6-4-5-16(13-17)12-11-15-9-7-14(2)8-10-15;1-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)18(2)17;1-3-9-6-4-8(2)5-7-9;1-2(5)3(9-7)4(6)8;7*1-4(2,3)7(5)6/h3-6,13-14,16H,7-12H2,1-2H3;5-7,15-17H,3-4,8-14H2,1-2H3;2-6,13-15H,7-12H2,1H3;8,10,12-14H,2-7,9,11H2,1H3;4-6,13-15H,3,7-12H2,1-2H3;9-14H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;5,7H2,1H3,(H2,6,8);7*1-3H3,(H,5,6)/p-5/b;;;;;;;3-2-;;;;;;;
InChIKeyFQPFVKRFKDLOCO-GSNDZUEOSA-I
XLogP37.35
TPSA448.76 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.20
LogP ≤ 537.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)?
The IUPAC name of (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid) (CID 158766299) is (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid).
What is the SMILES notation for (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)?
The canonical SMILES for (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid) is C/C(N)=C(/SN)C(N)=O.CC(C)(C)S(=O)O.CC(C)(C)S(=O)O.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCC(CCc2ccc(S(C)=O)cc2)CC1.CC1CCC(CCc2ccc3c(c2)CCC3=O)CC1.CC1CCC(CCc2cccc3ncccc23)CC1.CCC1CCC(C)CC1.CCCCOc1cccc(CCC2CCC(C)CC2)c1.CCOc1cccc(CCC2CCC(C)CC2)c1.Cc1cc(CCC2CCC(C)CC2)c2ccccc2n1.
What is the InChIKey of (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)?
The InChIKey is FQPFVKRFKDLOCO-GSNDZUEOSA-I. The full InChI is InChI=1S/C19H25N.C19H30O.C18H23N.C18H24O.C17H26O.C16H24OS.C9H18.C4H9N3OS.7C4H10O2S/c1-14-7-9-16(10-8-14)11-12-17-13-15(2)20-19-6-4-3-5-18(17)19;1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17;1-14-7-9-15(10-8-14)11-12-16-4-2-6-18-17(16)5-3-13-19-18;1-13-2-4-14(5-3-13)6-7-15-8-10-17-16(12-15)9-11-18(17)19;1-3-18-17-6-4-5-16(13-17)12-11-15-9-7-14(2)8-10-15;1-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)18(2)17;1-3-9-6-4-8(2)5-7-9;1-2(5)3(9-7)4(6)8;7*1-4(2,3)7(5)6/h3-6,13-14,16H,7-12H2,1-2H3;5-7,15-17H,3-4,8-14H2,1-2H3;2-6,13-15H,7-12H2,1H3;8,10,12-14H,2-7,9,11H2,1H3;4-6,13-15H,3,7-12H2,1-2H3;9-14H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;5,7H2,1H3,(H2,6,8);7*1-3H3,(H,5,6)/p-5/b;;;;;;;3-2-;;;;;;;.
What are the key properties of (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)?
(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid) has a molecular weight of 2686.20 g/mol, XLogP of 37.35, 28 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid) is sourced from PubChem (CID 158766299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).