[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine

C13H18F2N2O2S — CID 119963938

IUPAC[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCc1cc(F)c(S(=O)(=O)N2CCC(CN)CC2)cc1F
InChIInChI=1S/C13H18F2N2O2S/c1-9-6-12(15)13(7-11(9)14)20(18,19)17-4-2-10(8-16)3-5-17/h6-7,10H,2-5,8,16H2,1H3
InChIKeyKOYSDJWNSHKSRZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.63
Rot. Bonds3

About [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine

[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 119963938) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID119963938
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCc1cc(F)c(S(=O)(=O)N2CCC(CN)CC2)cc1F
InChIInChI=1S/C13H18F2N2O2S/c1-9-6-12(15)13(7-11(9)14)20(18,19)17-4-2-10(8-16)3-5-17/h6-7,10H,2-5,8,16H2,1H3
InChIKeyKOYSDJWNSHKSRZ-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 119963730
[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120999453
2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84591436
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
1-[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984585
2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 63973249

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine (CID 119963938) is [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine is Cc1cc(F)c(S(=O)(=O)N2CCC(CN)CC2)cc1F.
What is the InChIKey of [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is KOYSDJWNSHKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-9-6-12(15)13(7-11(9)14)20(18,19)17-4-2-10(8-16)3-5-17/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine?
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 119963938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).