3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine

C15H23FN2O2S — CID 114507294

IUPAC3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(F)cc2C)CCC1NC
InChIInChI=1S/C15H23FN2O2S/c1-4-12-10-18(8-7-14(12)17-3)21(19,20)15-6-5-13(16)9-11(15)2/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyJUYBBLKRJMLMQW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.14
Rot. Bonds4

About 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine

3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 114507294) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID114507294
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(F)cc2C)CCC1NC
InChIInChI=1S/C15H23FN2O2S/c1-4-12-10-18(8-7-14(12)17-3)21(19,20)15-6-5-13(16)9-11(15)2/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyJUYBBLKRJMLMQW-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
CID 114507138
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
CID 114498922

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine (CID 114507294) is 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2ccc(F)cc2C)CCC1NC.
What is the InChIKey of 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is JUYBBLKRJMLMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-4-12-10-18(8-7-14(12)17-3)21(19,20)15-6-5-13(16)9-11(15)2/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine?
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 314.43 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 3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114507294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).