[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine

C16H23NO2S — CID 117113179

IUPAC[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
SMILESCS(=O)(=O)CC1(c2ccc(C3(CN)CCC3)cc2)CC1
InChIInChI=1S/C16H23NO2S/c1-20(18,19)12-16(9-10-16)14-5-3-13(4-6-14)15(11-17)7-2-8-15/h3-6H,2,7-12,17H2,1H3
InChIKeyWORFXMZVTOIASV-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.14
Rot. Bonds5

About [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine

[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine (PubChem CID 117113179) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
PubChem CID117113179
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
SMILESCS(=O)(=O)CC1(c2ccc(C3(CN)CCC3)cc2)CC1
InChIInChI=1S/C16H23NO2S/c1-20(18,19)12-16(9-10-16)14-5-3-13(4-6-14)15(11-17)7-2-8-15/h3-6H,2,7-12,17H2,1H3
InChIKeyWORFXMZVTOIASV-UHFFFAOYSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine
CID 117113431
4-[1-(methylsulfonylmethyl)cyclopentyl]phenol
CID 115047394
[4-[1-(aminomethyl)cyclobutyl]phenyl] methanesulfonate
CID 117391535
[1-(4-ethylsulfonylphenyl)cyclopentyl]methanamine
CID 82501815
1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanol
CID 117113799
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine
CID 117108065
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
CID 117391532
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine
CID 115047157
[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117396628

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine (CID 117113179) is [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine is CS(=O)(=O)CC1(c2ccc(C3(CN)CCC3)cc2)CC1.
What is the InChIKey of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine?
The InChIKey is WORFXMZVTOIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-20(18,19)12-16(9-10-16)14-5-3-13(4-6-14)15(11-17)7-2-8-15/h3-6H,2,7-12,17H2,1H3.
What are the key properties of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine?
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine has a molecular weight of 293.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117113179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).