[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine

C13H18FNO2S — CID 117431326

IUPAC[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
SMILESCS(=O)(=O)c1cc(C2(CN)CCCC2)ccc1F
InChIInChI=1S/C13H18FNO2S/c1-18(16,17)12-8-10(4-5-11(12)14)13(9-15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyRVAGMYJDSDPLEY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.00
Rot. Bonds3

About [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine

[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine (PubChem CID 117431326) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
PubChem CID117431326
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
SMILESCS(=O)(=O)c1cc(C2(CN)CCCC2)ccc1F
InChIInChI=1S/C13H18FNO2S/c1-18(16,17)12-8-10(4-5-11(12)14)13(9-15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyRVAGMYJDSDPLEY-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
CID 117391532
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine
CID 117113431
1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
CID 117360007
[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117437284
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
CID 117455576
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
CID 117113179
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117396628
[1-(4-ethylsulfonylphenyl)cyclopentyl]methanamine
CID 82501815

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine (CID 117431326) is [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine is CS(=O)(=O)c1cc(C2(CN)CCCC2)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine?
The InChIKey is RVAGMYJDSDPLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-18(16,17)12-8-10(4-5-11(12)14)13(9-15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine?
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117431326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).