methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane

C66H96N8O6S2 — CID 158245058

IUPACmethane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane
SMILESC.C.Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)C4CCN(C5CCC(=O)CC5)C4)C3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)C4CCN(C5CCC6(CCO6)CC5)C4)C3)cc2)cc1.S.S
InChIInChI=1S/C33H44N4O3.C31H40N4O3.2CH4.2H2S/c1-24-4-6-25(7-5-24)26-8-10-27(11-9-26)31(38)34(2)29-15-20-37(23-29)32(39)35(3)30-14-19-36(22-30)28-12-16-33(17-13-28)18-21-40-33;1-22-4-6-23(7-5-22)24-8-10-25(11-9-24)30(37)32(2)27-17-19-35(21-27)31(38)33(3)28-16-18-34(20-28)26-12-14-29(36)15-13-26;;;;/h4-11,28-30H,12-23H2,1-3H3;4-11,26-28H,12-21H2,1-3H3;2*1H4;2*1H2/t28?,29-,30?,33?;27-,28?;;;;/m00..../s1
InChIKeyGGABDIXGXPTLST-JJOJVRPMSA-N
MW1161.68 g/mol
LogP10.98
Rot. Bonds10

About methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane

methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane (PubChem CID 158245058) has the molecular formula C66H96N8O6S2 and a molecular weight of 1161.68 g/mol. Its IUPAC name is methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane.

Molecular Properties

Compound Namemethane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane
PubChem CID158245058
Molecular FormulaC66H96N8O6S2
Molecular Weight1161.68 g/mol
Exact Mass1160.69
IUPAC Namemethane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane
SMILESC.C.Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)C4CCN(C5CCC(=O)CC5)C4)C3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)C4CCN(C5CCC6(CCO6)CC5)C4)C3)cc2)cc1.S.S
InChIInChI=1S/C33H44N4O3.C31H40N4O3.2CH4.2H2S/c1-24-4-6-25(7-5-24)26-8-10-27(11-9-26)31(38)34(2)29-15-20-37(23-29)32(39)35(3)30-14-19-36(22-30)28-12-16-33(17-13-28)18-21-40-33;1-22-4-6-23(7-5-22)24-8-10-25(11-9-24)30(37)32(2)27-17-19-35(21-27)31(38)33(3)28-16-18-34(20-28)26-12-14-29(36)15-13-26;;;;/h4-11,28-30H,12-23H2,1-3H3;4-11,26-28H,12-21H2,1-3H3;2*1H4;2*1H2/t28?,29-,30?,33?;27-,28?;;;;/m00..../s1
InChIKeyGGABDIXGXPTLST-JJOJVRPMSA-N
XLogP10.98
TPSA120.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.68
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane?
The IUPAC name of methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane (CID 158245058) is methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane.
What is the SMILES notation for methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane?
The canonical SMILES for methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane is C.C.Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)C4CCN(C5CCC(=O)CC5)C4)C3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)C4CCN(C5CCC6(CCO6)CC5)C4)C3)cc2)cc1.S.S.
What is the InChIKey of methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane?
The InChIKey is GGABDIXGXPTLST-JJOJVRPMSA-N. The full InChI is InChI=1S/C33H44N4O3.C31H40N4O3.2CH4.2H2S/c1-24-4-6-25(7-5-24)26-8-10-27(11-9-26)31(38)34(2)29-15-20-37(23-29)32(39)35(3)30-14-19-36(22-30)28-12-16-33(17-13-28)18-21-40-33;1-22-4-6-23(7-5-22)24-8-10-25(11-9-24)30(37)32(2)27-17-19-35(21-27)31(38)33(3)28-16-18-34(20-28)26-12-14-29(36)15-13-26;;;;/h4-11,28-30H,12-23H2,1-3H3;4-11,26-28H,12-21H2,1-3H3;2*1H4;2*1H2/t28?,29-,30?,33?;27-,28?;;;;/m00..../s1.
What are the key properties of methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane?
methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane has a molecular weight of 1161.68 g/mol, XLogP of 10.98, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane is sourced from PubChem (CID 158245058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).