3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol

C14H27NO3S — CID 62467761

IUPAC3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1CCCO
InChIInChI=1S/C14H27NO3S/c16-11-5-9-14-8-4-10-15(14)19(17,18)12-13-6-2-1-3-7-13/h13-14,16H,1-12H2
InChIKeyFKFQMJNLPXSBOX-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.13
Rot. Bonds6

About 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467761) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62467761
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1CCCO
InChIInChI=1S/C14H27NO3S/c16-11-5-9-14-8-4-10-15(14)19(17,18)12-13-6-2-1-3-7-13/h13-14,16H,1-12H2
InChIKeyFKFQMJNLPXSBOX-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050
2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]acetic acid
CID 61453655
2-(3-hydroxypropyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62468298
3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480106
2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63880164
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62468441
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol (CID 62467761) is 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol is O=S(=O)(CC1CCCCC1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is FKFQMJNLPXSBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c16-11-5-9-14-8-4-10-15(14)19(17,18)12-13-6-2-1-3-7-13/h13-14,16H,1-12H2.
What are the key properties of 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).