(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide

C17H30N2O3S — CID 97244130

IUPAC(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide
SMILESCC1(C)CCC[C@H](CC(=O)N2CC[C@@H](S(=O)(=O)NC3CC3)C2)C1
InChIInChI=1S/C17H30N2O3S/c1-17(2)8-3-4-13(11-17)10-16(20)19-9-7-15(12-19)23(21,22)18-14-5-6-14/h13-15,18H,3-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyVQMKEWKDRVZLAT-UKRRQHHQSA-N
MW342.51 g/mol
LogP2.28
Rot. Bonds5

About (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide

(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide (PubChem CID 97244130) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide
PubChem CID97244130
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide
SMILESCC1(C)CCC[C@H](CC(=O)N2CC[C@@H](S(=O)(=O)NC3CC3)C2)C1
InChIInChI=1S/C17H30N2O3S/c1-17(2)8-3-4-13(11-17)10-16(20)19-9-7-15(12-19)23(21,22)18-14-5-6-14/h13-15,18H,3-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyVQMKEWKDRVZLAT-UKRRQHHQSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
CID 90584553
4-[3-(cyclopentylsulfamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 120551607
1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552013
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
(3R)-N-cyclopentyl-1-(2,2-dimethylpropanoyl)piperidine-3-sulfonamide
CID 97348527
1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
CID 57219007
2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
CID 109468073
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120552016
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide (CID 97244130) is (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide is CC1(C)CCC[C@H](CC(=O)N2CC[C@@H](S(=O)(=O)NC3CC3)C2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide?
The InChIKey is VQMKEWKDRVZLAT-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-17(2)8-3-4-13(11-17)10-16(20)19-9-7-15(12-19)23(21,22)18-14-5-6-14/h13-15,18H,3-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide?
(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 97244130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).