1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine

C14H22N2O2S — CID 55256671

IUPAC1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(15-2)14-10-6-7-11-16(14)19(17,18)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKeySORCOBRJYOCDNR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.84
Rot. Bonds4

About 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine

1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine (PubChem CID 55256671) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
PubChem CID55256671
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(15-2)14-10-6-7-11-16(14)19(17,18)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKeySORCOBRJYOCDNR-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
CID 63854206
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 102690331
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55256669
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63852803
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine (CID 55256671) is 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine is CNC(C)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is SORCOBRJYOCDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(15-2)14-10-6-7-11-16(14)19(17,18)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine?
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 282.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 55256671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).