[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol

C8H17NO3S — CID 99997499

IUPAC[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
SMILESCS(=O)(=O)[C@@H]1CC[C@](CN)(CO)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-2-3-8(4-7,5-9)6-10/h7,10H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyZLMQTCDFSHOXGY-SFYZADRCSA-N
MW207.29 g/mol
LogP-0.48
Rot. Bonds3

About [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol

[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol (PubChem CID 99997499) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
PubChem CID99997499
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
SMILESCS(=O)(=O)[C@@H]1CC[C@](CN)(CO)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-2-3-8(4-7,5-9)6-10/h7,10H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyZLMQTCDFSHOXGY-SFYZADRCSA-N
XLogP-0.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997590
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527
[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
CID 99997968
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
CID 146279083
cis-(1R,3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997353
cis-(1S,3R)-1-(hydroxymethyl)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997356
(1S,2S,4S)-1-(aminomethyl)-4-methylsulfonylcyclohexane-1,2-diol
CID 155797851
[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
CID 87828338
trans-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropane-1-carboxylic acid;hydrochloride
CID 165487911
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
CID 65050172
[4-methyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanamine
CID 65395087

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol (CID 99997499) is [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol is CS(=O)(=O)[C@@H]1CC[C@](CN)(CO)C1.
What is the InChIKey of [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol?
The InChIKey is ZLMQTCDFSHOXGY-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)7-2-3-8(4-7,5-9)6-10/h7,10H,2-6,9H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol?
[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol has a molecular weight of 207.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol is sourced from PubChem (CID 99997499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).