N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C18H29N3O3S — CID 51548567

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C18H29N3O3S/c1-13-7-6-8-16(14(13)2)19-18(22)17-11-15(12-20(17)3)25(23,24)21-9-4-5-10-21/h11-14,16H,4-10H2,1-3H3,(H,19,22)/t13-,14-,16-/m1/s1
InChIKeyNZVIAYFZCUIPRI-IIAWOOMASA-N
MW367.52 g/mol
LogP2.36
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 51548567) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID51548567
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C18H29N3O3S/c1-13-7-6-8-16(14(13)2)19-18(22)17-11-15(12-20(17)3)25(23,24)21-9-4-5-10-21/h11-14,16H,4-10H2,1-3H3,(H,19,22)/t13-,14-,16-/m1/s1
InChIKeyNZVIAYFZCUIPRI-IIAWOOMASA-N
XLogP2.36
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26744296
1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 120575353
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55560394
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813703
N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
CID 20968769

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 51548567) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is NZVIAYFZCUIPRI-IIAWOOMASA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13-7-6-8-16(14(13)2)19-18(22)17-11-15(12-20(17)3)25(23,24)21-9-4-5-10-21/h11-14,16H,4-10H2,1-3H3,(H,19,22)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 51548567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).