1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

C14H21FN2O2S — CID 110868573

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N(C)C)CC2)ccc1F
InChIInChI=1S/C14H21FN2O2S/c1-11-10-13(4-5-14(11)15)20(18,19)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyLNCXLWICEVEMTR-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (PubChem CID 110868573) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
PubChem CID110868573
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N(C)C)CC2)ccc1F
InChIInChI=1S/C14H21FN2O2S/c1-11-10-13(4-5-14(11)15)20(18,19)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyLNCXLWICEVEMTR-UHFFFAOYSA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
CID 136574383
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 113073853
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
CID 43585652
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823231
(3S)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidine
CID 94929661

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (CID 110868573) is 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CCC(N(C)C)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The InChIKey is LNCXLWICEVEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-10-13(4-5-14(11)15)20(18,19)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine has a molecular weight of 300.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 110868573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).