[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine

C14H18FNO2S — CID 117455576

IUPAC[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(S(=O)(=O)C3CC3)c(F)c2)CCC1
InChIInChI=1S/C14H18FNO2S/c15-12-8-10(14(9-16)6-1-7-14)2-5-13(12)19(17,18)11-3-4-11/h2,5,8,11H,1,3-4,6-7,9,16H2
InChIKeyZNHAKXFVDIEAHP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.14
Rot. Bonds4

About [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine

[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine (PubChem CID 117455576) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
PubChem CID117455576
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(S(=O)(=O)C3CC3)c(F)c2)CCC1
InChIInChI=1S/C14H18FNO2S/c15-12-8-10(14(9-16)6-1-7-14)2-5-13(12)19(17,18)11-3-4-11/h2,5,8,11H,1,3-4,6-7,9,16H2
InChIKeyZNHAKXFVDIEAHP-UHFFFAOYSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
CID 117497632
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
CID 117391532
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine
CID 117498745
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
CID 117113179
[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
CID 117417974
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine (CID 117455576) is [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine is NCC1(c2ccc(S(=O)(=O)C3CC3)c(F)c2)CCC1.
What is the InChIKey of [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine?
The InChIKey is ZNHAKXFVDIEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-8-10(14(9-16)6-1-7-14)2-5-13(12)19(17,18)11-3-4-11/h2,5,8,11H,1,3-4,6-7,9,16H2.
What are the key properties of [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine?
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117455576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).