N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

C18H30ClN3O3S — CID 119396973

IUPACN,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(CNC)C2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)25(23,24)17-10-6-9-16(12-17)18(22)20-11-7-8-15(14-20)13-19-3;/h6,9-10,12,15,19H,4-5,7-8,11,13-14H2,1-3H3;1H
InChIKeyOQYIQSRWJKKVNC-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.21
Rot. Bonds7

About N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119396973) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119396973
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(CNC)C2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)25(23,24)17-10-6-9-16(12-17)18(22)20-11-7-8-15(14-20)13-19-3;/h6,9-10,12,15,19H,4-5,7-8,11,13-14H2,1-3H3;1H
InChIKeyOQYIQSRWJKKVNC-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119396973) is N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(CNC)C2)c1.Cl.
What is the InChIKey of N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is OQYIQSRWJKKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)25(23,24)17-10-6-9-16(12-17)18(22)20-11-7-8-15(14-20)13-19-3;/h6,9-10,12,15,19H,4-5,7-8,11,13-14H2,1-3H3;1H.
What are the key properties of N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119396973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).