(3-methylsulfonylcyclobutyl)methanamine

C6H13NO2S — CID 115012872

IUPAC(3-methylsulfonylcyclobutyl)methanamine
SMILESCS(=O)(=O)C1CC(CN)C1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-2-5(3-6)4-7/h5-6H,2-4,7H2,1H3
InChIKeyWDNUTQOTUAJFNU-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.23
Rot. Bonds2

About (3-methylsulfonylcyclobutyl)methanamine

(3-methylsulfonylcyclobutyl)methanamine (PubChem CID 115012872) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (3-methylsulfonylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3-methylsulfonylcyclobutyl)methanamine
PubChem CID115012872
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(3-methylsulfonylcyclobutyl)methanamine
SMILESCS(=O)(=O)C1CC(CN)C1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-2-5(3-6)4-7/h5-6H,2-4,7H2,1H3
InChIKeyWDNUTQOTUAJFNU-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methylsulfonylcyclobutyl)methanamine 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

[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
2-(aminomethyl)-5-methylsulfonylcyclohexan-1-ol
CID 153296040
azane;3-bicyclo[3.1.0]hexanylmethanamine
CID 70417036
[3-(fluoromethylsulfonyl)cyclopentyl]methanamine
CID 84720541
2-(3-methylsulfonylcyclobutyl)ethylbenzene
CID 142503329
N-[3-(aminomethyl)cyclopentyl]methanesulfonamide
CID 130922064
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
CID 81010799
2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90590789
(1S,2S,4S)-1-(aminomethyl)-4-methylsulfonylcyclohexane-1,2-diol
CID 155797851
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
CID 146279083
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527
(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methanamine
CID 105361446

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclobutyl)methanamine?
The IUPAC name of (3-methylsulfonylcyclobutyl)methanamine (CID 115012872) is (3-methylsulfonylcyclobutyl)methanamine.
What is the SMILES notation for (3-methylsulfonylcyclobutyl)methanamine?
The canonical SMILES for (3-methylsulfonylcyclobutyl)methanamine is CS(=O)(=O)C1CC(CN)C1.
What is the InChIKey of (3-methylsulfonylcyclobutyl)methanamine?
The InChIKey is WDNUTQOTUAJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6-2-5(3-6)4-7/h5-6H,2-4,7H2,1H3.
What are the key properties of (3-methylsulfonylcyclobutyl)methanamine?
(3-methylsulfonylcyclobutyl)methanamine has a molecular weight of 163.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclobutyl)methanamine is sourced from PubChem (CID 115012872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).