1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine

C15H24N2O2S — CID 63854206

IUPAC1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-13(16-2)15-10-6-7-11-17(15)20(18,19)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3
InChIKeyWKBWSGJJFJCFSA-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.98
Rot. Bonds5

About 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine

1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine (PubChem CID 63854206) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
PubChem CID63854206
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-13(16-2)15-10-6-7-11-17(15)20(18,19)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3
InChIKeyWKBWSGJJFJCFSA-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854553
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-benzylsulfonylazepan-2-amine
CID 64560148
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
1-benzylsulfonyl-2-propan-2-ylaziridine
CID 175123088
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444
(2S)-1-benzylsulfonyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 101173677
(2R)-1-benzylsulfonyl-2-(2-chlorophenyl)azepane
CID 95079061
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 102690331

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine (CID 63854206) is 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine is CNC(C)C1CCCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine?
The InChIKey is WKBWSGJJFJCFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(16-2)15-10-6-7-11-17(15)20(18,19)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3.
What are the key properties of 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine?
1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine is sourced from PubChem (CID 63854206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).