(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide

C15H29N3O4S — CID 124844803

IUPAC(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O
InChIInChI=1S/C15H29N3O4S/c1-11-5-6-14(19)12(10-11)13-4-3-8-18(13)15(20)17-7-9-23(21,22)16-2/h11-14,16,19H,3-10H2,1-2H3,(H,17,20)/t11-,12+,13-,14-/m1/s1
InChIKeyGWCOOAWWFJETST-XJFOESAGSA-N
MW347.48 g/mol
LogP0.51
Rot. Bonds5

About (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide

(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 124844803) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID124844803
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O
InChIInChI=1S/C15H29N3O4S/c1-11-5-6-14(19)12(10-11)13-4-3-8-18(13)15(20)17-7-9-23(21,22)16-2/h11-14,16,19H,3-10H2,1-2H3,(H,17,20)/t11-,12+,13-,14-/m1/s1
InChIKeyGWCOOAWWFJETST-XJFOESAGSA-N
XLogP0.51
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
CID 124874523
N-[2-[(2S)-2-[(1R,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 125141149
2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136540150
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 136540092
(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone
CID 125141199
(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
CID 124739584
N-ethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545828
methyl 5-[(2R)-2-[(1S,2S,5S)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]furan-2-carboxylate
CID 100701773
(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide
CID 124886318
(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 124625875
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
(3aR,7aR)-N-(2-tert-butylsulfonylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 95968830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide (CID 124844803) is (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide is CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O.
What is the InChIKey of (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GWCOOAWWFJETST-XJFOESAGSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-11-5-6-14(19)12(10-11)13-4-3-8-18(13)15(20)17-7-9-23(21,22)16-2/h11-14,16,19H,3-10H2,1-2H3,(H,17,20)/t11-,12+,13-,14-/m1/s1.
What are the key properties of (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide?
(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124844803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).