1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine

C14H20F2N2O2S — CID 114498922

IUPAC1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1C
InChIInChI=1S/C14H20F2N2O2S/c1-3-17-13-6-7-18(9-10(13)2)21(19,20)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyVXMJGEXLJQNDSZ-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine

1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 114498922) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
PubChem CID114498922
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1C
InChIInChI=1S/C14H20F2N2O2S/c1-3-17-13-6-7-18(9-10(13)2)21(19,20)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyVXMJGEXLJQNDSZ-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-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

3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
CID 114507138
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585524
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine (CID 114498922) is 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1C.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is VXMJGEXLJQNDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-3-17-13-6-7-18(9-10(13)2)21(19,20)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine?
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 318.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 114498922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).