(1-methylsulfonylcyclobutyl)methanamine

C6H13NO2S — CID 62475081

IUPAC(1-methylsulfonylcyclobutyl)methanamine
SMILESCS(=O)(=O)C1(CN)CCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5,7H2,1H3
InChIKeyUXENEQXPIJMSQF-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.09
Rot. Bonds2

About (1-methylsulfonylcyclobutyl)methanamine

(1-methylsulfonylcyclobutyl)methanamine (PubChem CID 62475081) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (1-methylsulfonylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonylcyclobutyl)methanamine
PubChem CID62475081
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(1-methylsulfonylcyclobutyl)methanamine
SMILESCS(=O)(=O)C1(CN)CCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5,7H2,1H3
InChIKeyUXENEQXPIJMSQF-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclobutyl)methanamine?
The IUPAC name of (1-methylsulfonylcyclobutyl)methanamine (CID 62475081) is (1-methylsulfonylcyclobutyl)methanamine.
What is the SMILES notation for (1-methylsulfonylcyclobutyl)methanamine?
The canonical SMILES for (1-methylsulfonylcyclobutyl)methanamine is CS(=O)(=O)C1(CN)CCC1.
What is the InChIKey of (1-methylsulfonylcyclobutyl)methanamine?
The InChIKey is UXENEQXPIJMSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5,7H2,1H3.
What are the key properties of (1-methylsulfonylcyclobutyl)methanamine?
(1-methylsulfonylcyclobutyl)methanamine has a molecular weight of 163.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclobutyl)methanamine is sourced from PubChem (CID 62475081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).