N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

C15H24ClN3O3S — CID 119492403

IUPACN,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-16-13-7-5-9-18(11-13)15(19)12-6-4-8-14(10-12)22(20,21)17(2)3;/h4,6,8,10,13,16H,5,7,9,11H2,1-3H3;1H
InChIKeySBJLTVKHPNHBKM-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.18
Rot. Bonds4

About N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119492403) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119492403
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-16-13-7-5-9-18(11-13)15(19)12-6-4-8-14(10-12)22(20,21)17(2)3;/h4,6,8,10,13,16H,5,7,9,11H2,1-3H3;1H
InChIKeySBJLTVKHPNHBKM-UHFFFAOYSA-N
XLogP1.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119492403) is N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is CNC1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1.Cl.
What is the InChIKey of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is SBJLTVKHPNHBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-16-13-7-5-9-18(11-13)15(19)12-6-4-8-14(10-12)22(20,21)17(2)3;/h4,6,8,10,13,16H,5,7,9,11H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119492403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).