N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane

C15H27N3O2S2 — CID 160771197

IUPACN-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane
SMILESCc1noc(C)c1C(=O)NC[C@H]1NC[C@@H]2CC(C)C[C@@H]21.S.S
InChIInChI=1S/C15H23N3O2.2H2S/c1-8-4-11-6-16-13(12(11)5-8)7-17-15(19)14-9(2)18-20-10(14)3;;/h8,11-13,16H,4-7H2,1-3H3,(H,17,19);2*1H2/t8?,11-,12-,13+;;/m0../s1
InChIKeyRZIMEKNWIGQQBS-JLICCZCASA-N
MW345.53 g/mol
LogP1.88
Rot. Bonds3

About N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane

N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane (PubChem CID 160771197) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane.

Molecular Properties

Compound NameN-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane
PubChem CID160771197
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC NameN-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane
SMILESCc1noc(C)c1C(=O)NC[C@H]1NC[C@@H]2CC(C)C[C@@H]21.S.S
InChIInChI=1S/C15H23N3O2.2H2S/c1-8-4-11-6-16-13(12(11)5-8)7-17-15(19)14-9(2)18-20-10(14)3;;/h8,11-13,16H,4-7H2,1-3H3,(H,17,19);2*1H2/t8?,11-,12-,13+;;/m0../s1
InChIKeyRZIMEKNWIGQQBS-JLICCZCASA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane with MolForge

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Related Compounds

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 154897182
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43594257
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 120829752
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
CID 128966217
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 131914815

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane?
The IUPAC name of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane (CID 160771197) is N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane.
What is the SMILES notation for N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane?
The canonical SMILES for N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane is Cc1noc(C)c1C(=O)NC[C@H]1NC[C@@H]2CC(C)C[C@@H]21.S.S.
What is the InChIKey of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane?
The InChIKey is RZIMEKNWIGQQBS-JLICCZCASA-N. The full InChI is InChI=1S/C15H23N3O2.2H2S/c1-8-4-11-6-16-13(12(11)5-8)7-17-15(19)14-9(2)18-20-10(14)3;;/h8,11-13,16H,4-7H2,1-3H3,(H,17,19);2*1H2/t8?,11-,12-,13+;;/m0../s1.
What are the key properties of N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane?
N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane has a molecular weight of 345.53 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane is sourced from PubChem (CID 160771197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).