[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol

C14H20ClNO3S — CID 83169882

IUPAC[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol
SMILESCS(=O)(=O)c1cccc(Cl)c1CNC1(CO)CCCC1
InChIInChI=1S/C14H20ClNO3S/c1-20(18,19)13-6-4-5-12(15)11(13)9-16-14(10-17)7-2-3-8-14/h4-6,16-17H,2-3,7-10H2,1H3
InChIKeyJXTAUVOFMZRCKE-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.14
Rot. Bonds5

About [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol

[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol (PubChem CID 83169882) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol
PubChem CID83169882
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol
SMILESCS(=O)(=O)c1cccc(Cl)c1CNC1(CO)CCCC1
InChIInChI=1S/C14H20ClNO3S/c1-20(18,19)13-6-4-5-12(15)11(13)9-16-14(10-17)7-2-3-8-14/h4-6,16-17H,2-3,7-10H2,1H3
InChIKeyJXTAUVOFMZRCKE-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hexanol, 6-((2-chlorobenzo(b)thien-3-yl)amino)-, S,S-dioxide
CID 3046528
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 83167957
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081018
3-[(2-Chloro-6-methylsulfonylphenyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 104589739
3-[(2-Chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104589829
3-[(2-Chloro-6-methylsulfonylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857472
N-[(4-chloro-2-methylsulfonylphenyl)methyl]-2-methylpropan-2-amine
CID 57658110
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylpropan-2-amine
CID 57658231
2-[3-Chloro-2-[(2-methylpropylamino)methyl]phenyl]sulfanylethanol
CID 55238114
N-[[2-chloro-6-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 63805526
N-[[2-chloro-6-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63805874
2-[3-Chloro-2-[(2-methoxyethylamino)methyl]phenyl]sulfanylethanol
CID 63807330

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol (CID 83169882) is [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol is CS(=O)(=O)c1cccc(Cl)c1CNC1(CO)CCCC1.
What is the InChIKey of [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol?
The InChIKey is JXTAUVOFMZRCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-20(18,19)13-6-4-5-12(15)11(13)9-16-14(10-17)7-2-3-8-14/h4-6,16-17H,2-3,7-10H2,1H3.
What are the key properties of [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol?
[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol has a molecular weight of 317.84 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 83169882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).