1-(cyclohexylmethylsulfonyl)pyrrolidine

C11H21NO2S — CID 62732740

IUPAC1-(cyclohexylmethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1
InChIInChI=1S/C11H21NO2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyFIBIPELGBQHPPX-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.99
Rot. Bonds3

About 1-(cyclohexylmethylsulfonyl)pyrrolidine

1-(cyclohexylmethylsulfonyl)pyrrolidine (PubChem CID 62732740) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)pyrrolidine
PubChem CID62732740
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(cyclohexylmethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1
InChIInChI=1S/C11H21NO2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyFIBIPELGBQHPPX-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Cyclopentylethyl)sulfonyl]pyrrolidine
CID 124222729
1-cyclohexyl-N-[4-(dimethylamino)butyl]-N-methylmethanesulfonamide
CID 72104896
(2S)-2-cyclohexyl-1-(3,3-dimethylbutylsulfonyl)pyrrolidine
CID 99807778
1-Cyclohexylsulfonylpyrrolidine
CID 14025945
1-(Cyclohexylmethylsulfonyl)piperidine
CID 17901352
2-Ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 58814986
2-(4-Methylcyclohexyl)-1,2-thiazolidine 1,1-dioxide
CID 59254837
3-Ethyl-1-propan-2-ylsulfonylpyrrolidine
CID 59266021
N-(cyclohexylmethyl)-N-methylpropane-2-sulfonamide
CID 61355018
N-(cyclohexylmethyl)-N-methylethanesulfonamide
CID 61355019
3-Ethyl-1-ethylsulfonylpyrrolidine
CID 67582210
1-Ethylsulfonyl-3-propan-2-ylpyrrolidine
CID 68071498

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)pyrrolidine?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)pyrrolidine (CID 62732740) is 1-(cyclohexylmethylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)pyrrolidine is O=S(=O)(CC1CCCCC1)N1CCCC1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)pyrrolidine?
The InChIKey is FIBIPELGBQHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h11H,1-10H2.
What are the key properties of 1-(cyclohexylmethylsulfonyl)pyrrolidine?
1-(cyclohexylmethylsulfonyl)pyrrolidine has a molecular weight of 231.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)pyrrolidine is sourced from PubChem (CID 62732740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).