2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine

C17H25NO2S — CID 151276711

IUPAC2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2C2CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-14-9-11-16(12-10-14)21(19,20)18-13-5-8-17(18)15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3
InChIKeyNXMRIHKKPUKCLP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.73
Rot. Bonds3

About 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine

2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 151276711) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID151276711
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2C2CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-14-9-11-16(12-10-14)21(19,20)18-13-5-8-17(18)15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3
InChIKeyNXMRIHKKPUKCLP-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7aR,11aR)-1,4,7-tris-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[b][1,4,7]triazonine
CID 101249934
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]benzamide
CID 40882510
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
CID 65319523
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 151276711) is 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCCC2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is NXMRIHKKPUKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-14-9-11-16(12-10-14)21(19,20)18-13-5-8-17(18)15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3.
What are the key properties of 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine?
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 307.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 151276711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).