[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine

C13H19NO2S — CID 115047157

IUPAC[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine
SMILESCS(=O)(=O)CC1(c2ccccc2CN)CCC1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)10-13(7-4-8-13)12-6-3-2-5-11(12)9-14/h2-3,5-6H,4,7-10,14H2,1H3
InChIKeyWNVJEELTZCYSMC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.61
Rot. Bonds4

About [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine

[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine (PubChem CID 115047157) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine
PubChem CID115047157
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine
SMILESCS(=O)(=O)CC1(c2ccccc2CN)CCC1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)10-13(7-4-8-13)12-6-3-2-5-11(12)9-14/h2-3,5-6H,4,7-10,14H2,1H3
InChIKeyWNVJEELTZCYSMC-UHFFFAOYSA-N
XLogP1.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine?
The IUPAC name of [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine (CID 115047157) is [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine.
What is the SMILES notation for [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine?
The canonical SMILES for [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine is CS(=O)(=O)CC1(c2ccccc2CN)CCC1.
What is the InChIKey of [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine?
The InChIKey is WNVJEELTZCYSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(15,16)10-13(7-4-8-13)12-6-3-2-5-11(12)9-14/h2-3,5-6H,4,7-10,14H2,1H3.
What are the key properties of [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine?
[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine is sourced from PubChem (CID 115047157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).