1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine

C12H16F2N2O2S — CID 79868603

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCC1N
InChIInChI=1S/C12H16F2N2O2S/c1-8-7-16(5-4-12(8)15)19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12H,4-5,7,15H2,1H3
InChIKeyBKAQPGITYHQTPK-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.32
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine

1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 79868603) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID79868603
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCC1N
InChIInChI=1S/C12H16F2N2O2S/c1-8-7-16(5-4-12(8)15)19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12H,4-5,7,15H2,1H3
InChIKeyBKAQPGITYHQTPK-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677569
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine (CID 79868603) is 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine is CC1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCC1N.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is BKAQPGITYHQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-7-16(5-4-12(8)15)19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12H,4-5,7,15H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine?
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).