N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride

C17H28ClN3O3S — CID 119491114

IUPACN,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-7-8-16(10-14(13)2)24(22,23)19(4)12-17(21)20-9-5-6-15(11-20)18-3;/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3;1H
InChIKeyVIBWFVBCMZDYHQ-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.56
Rot. Bonds5

About N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride

N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride (PubChem CID 119491114) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride
PubChem CID119491114
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-7-8-16(10-14(13)2)24(22,23)19(4)12-17(21)20-9-5-6-15(11-20)18-3;/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3;1H
InChIKeyVIBWFVBCMZDYHQ-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 119489842
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119489915
3,4-dimethoxy-N-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133186776
N-methyl-N-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51884778
N-[2-(azepan-1-yl)-2-oxoethyl]-4-ethoxy-N,3-dimethylbenzenesulfonamide
CID 45373770
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 119561319
N-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-N,3,4-trimethylbenzenesulfonamide
CID 38045898
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-N-methyl-3-nitrobenzenesulfonamide
CID 119378879
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride (CID 119491114) is N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride is CNC1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1.Cl.
What is the InChIKey of N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride?
The InChIKey is VIBWFVBCMZDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-13-7-8-16(10-14(13)2)24(22,23)19(4)12-17(21)20-9-5-6-15(11-20)18-3;/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3;1H.
What are the key properties of N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride?
N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119491114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).