[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol

C13H25NO3S — CID 128512728

IUPAC[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
SMILESO=S(=O)(CC1CCCC1)N1CCCC(CO)CC1
InChIInChI=1S/C13H25NO3S/c15-10-12-6-3-8-14(9-7-12)18(16,17)11-13-4-1-2-5-13/h12-13,15H,1-11H2
InChIKeyRPMUIBZILALORV-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.60
Rot. Bonds4

About [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol

[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol (PubChem CID 128512728) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
PubChem CID128512728
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
SMILESO=S(=O)(CC1CCCC1)N1CCCC(CO)CC1
InChIInChI=1S/C13H25NO3S/c15-10-12-6-3-8-14(9-7-12)18(16,17)11-13-4-1-2-5-13/h12-13,15H,1-11H2
InChIKeyRPMUIBZILALORV-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
4-chloro-1-(cyclohexylmethylsulfonyl)piperidine
CID 63396715
1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
CID 90924048
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
CID 127491617
2-[1-[(2,2-difluorocyclohexyl)methylsulfonyl]azepan-4-yl]ethanol
CID 136548377
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
CID 131916970
1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
CID 138381986
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739
1-[4-(cyclobutylmethylsulfonyl)-1,4-diazepan-1-yl]ethanone
CID 71907886
cyclohexylmethanol;sulfuric acid
CID 71362926

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol?
The IUPAC name of [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol (CID 128512728) is [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol.
What is the SMILES notation for [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol?
The canonical SMILES for [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol is O=S(=O)(CC1CCCC1)N1CCCC(CO)CC1.
What is the InChIKey of [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol?
The InChIKey is RPMUIBZILALORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c15-10-12-6-3-8-14(9-7-12)18(16,17)11-13-4-1-2-5-13/h12-13,15H,1-11H2.
What are the key properties of [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol?
[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol has a molecular weight of 275.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol is sourced from PubChem (CID 128512728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).