[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol

C15H23NO4S — CID 79587037

IUPAC[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol
SMILESCS(=O)(=O)c1cccc(OCCC2CCCC2(N)CO)c1
InChIInChI=1S/C15H23NO4S/c1-21(18,19)14-6-2-5-13(10-14)20-9-7-12-4-3-8-15(12,16)11-17/h2,5-6,10,12,17H,3-4,7-9,11,16H2,1H3
InChIKeyCHTXYWVEHFPYHM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.35
Rot. Bonds6

About [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol (PubChem CID 79587037) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol
PubChem CID79587037
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol
SMILESCS(=O)(=O)c1cccc(OCCC2CCCC2(N)CO)c1
InChIInChI=1S/C15H23NO4S/c1-21(18,19)14-6-2-5-13(10-14)20-9-7-12-4-3-8-15(12,16)11-17/h2,5-6,10,12,17H,3-4,7-9,11,16H2,1H3
InChIKeyCHTXYWVEHFPYHM-UHFFFAOYSA-N
XLogP1.35
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
(4S)-4-[2-(3-methylsulfonylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173149
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019
N-[2-(3-methylsulfonylphenoxy)ethyl]cycloheptanamine
CID 62583799

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol (CID 79587037) is [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol is CS(=O)(=O)c1cccc(OCCC2CCCC2(N)CO)c1.
What is the InChIKey of [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol?
The InChIKey is CHTXYWVEHFPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-21(18,19)14-6-2-5-13(10-14)20-9-7-12-4-3-8-15(12,16)11-17/h2,5-6,10,12,17H,3-4,7-9,11,16H2,1H3.
What are the key properties of [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79587037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).