[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol

C13H19NO3S — CID 65044032

IUPAC[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol
SMILESCS(=O)(=O)C1CCCC1Nc1cccc(CO)c1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)13-7-3-6-12(13)14-11-5-2-4-10(8-11)9-15/h2,4-5,8,12-15H,3,6-7,9H2,1H3
InChIKeyPLHCQKZSKHMWRK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.56
Rot. Bonds4

About [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol

[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol (PubChem CID 65044032) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol
PubChem CID65044032
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol
SMILESCS(=O)(=O)C1CCCC1Nc1cccc(CO)c1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)13-7-3-6-12(13)14-11-5-2-4-10(8-11)9-15/h2,4-5,8,12-15H,3,6-7,9H2,1H3
InChIKeyPLHCQKZSKHMWRK-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonylcyclopentyl)-3-(trifluoromethyl)aniline
CID 65046898
[3-[(2-methylthian-3-yl)amino]phenyl]methanol
CID 79957294
2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol
CID 107700094
[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol
CID 64759496
4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65046952
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366
2-chloro-1-N,1-N-dimethyl-4-N-(2-methylsulfonylcyclopentyl)benzene-1,4-diamine
CID 65046253
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
4-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65044524
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol?
The IUPAC name of [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol (CID 65044032) is [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol?
The canonical SMILES for [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol is CS(=O)(=O)C1CCCC1Nc1cccc(CO)c1.
What is the InChIKey of [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol?
The InChIKey is PLHCQKZSKHMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(16,17)13-7-3-6-12(13)14-11-5-2-4-10(8-11)9-15/h2,4-5,8,12-15H,3,6-7,9H2,1H3.
What are the key properties of [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol?
[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol has a molecular weight of 269.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol is sourced from PubChem (CID 65044032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).