(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide

C14H21FN2O2S — CID 35296389

IUPAC(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2O2S/c1-12-3-2-10-17(11-12)20(18,19)16-9-8-13-4-6-14(15)7-5-13/h4-7,12,16H,2-3,8-11H2,1H3/t12-/m1/s1
InChIKeyYJXVSKIUWZOCJB-GFCCVEGCSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds5

About (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide

(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 35296389) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID35296389
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2O2S/c1-12-3-2-10-17(11-12)20(18,19)16-9-8-13-4-6-14(15)7-5-13/h4-7,12,16H,2-3,8-11H2,1H3/t12-/m1/s1
InChIKeyYJXVSKIUWZOCJB-GFCCVEGCSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 35296389) is (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is YJXVSKIUWZOCJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-12-3-2-10-17(11-12)20(18,19)16-9-8-13-4-6-14(15)7-5-13/h4-7,12,16H,2-3,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35296389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).