N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride

C16H28ClN3O2S — CID 119961266

IUPACN-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)N1CCCC(CNC)C1.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-3-18(13-15-8-5-4-6-9-15)22(20,21)19-11-7-10-16(14-19)12-17-2;/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3;1H
InChIKeyYYBBUSRRHLOTMY-UHFFFAOYSA-N
MW361.94 g/mol
LogP2.11
Rot. Bonds7

About N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride

N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride (PubChem CID 119961266) has the molecular formula C16H28ClN3O2S and a molecular weight of 361.94 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
PubChem CID119961266
Molecular FormulaC16H28ClN3O2S
Molecular Weight361.94 g/mol
Exact Mass361.16
IUPAC NameN-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)N1CCCC(CNC)C1.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-3-18(13-15-8-5-4-6-9-15)22(20,21)19-11-7-10-16(14-19)12-17-2;/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3;1H
InChIKeyYYBBUSRRHLOTMY-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
[2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999042
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride (CID 119961266) is N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride is CCN(Cc1ccccc1)S(=O)(=O)N1CCCC(CNC)C1.Cl.
What is the InChIKey of N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
The InChIKey is YYBBUSRRHLOTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.ClH/c1-3-18(13-15-8-5-4-6-9-15)22(20,21)19-11-7-10-16(14-19)12-17-2;/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3;1H.
What are the key properties of N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride has a molecular weight of 361.94 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119961266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).