(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

C15H23FN2O2S — CID 26393154

IUPAC(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](CCc2ccccc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-11-5-6-13(12-18)9-10-14-7-3-4-8-15(14)16/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m1/s1
InChIKeyPVHCZZAZRLEYRN-CYBMUJFWSA-N
MW314.43 g/mol
LogP2.28
Rot. Bonds5

About (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 26393154) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID26393154
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](CCc2ccccc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-11-5-6-13(12-18)9-10-14-7-3-4-8-15(14)16/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m1/s1
InChIKeyPVHCZZAZRLEYRN-CYBMUJFWSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26411785
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 45174478
2-(2-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79613090
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384
2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 56861954
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 26393154) is (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@H](CCc2ccccc2F)C1.
What is the InChIKey of (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is PVHCZZAZRLEYRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-11-5-6-13(12-18)9-10-14-7-3-4-8-15(14)16/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 26393154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).