N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

C17H28ClN3O3S — CID 119543123

IUPACN-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(CNC)CC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-19-24(22,23)15-6-5-13(2)16(11-15)17(21)20-9-7-14(8-10-20)12-18-3;/h5-6,11,14,18-19H,4,7-10,12H2,1-3H3;1H
InChIKeyZVWKYJLIKXIBBX-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.79
Rot. Bonds6

About N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119543123) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119543123
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(CNC)CC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-19-24(22,23)15-6-5-13(2)16(11-15)17(21)20-9-7-14(8-10-20)12-18-3;/h5-6,11,14,18-19H,4,7-10,12H2,1-3H3;1H
InChIKeyZVWKYJLIKXIBBX-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119542809
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 52910564
N-(2-methoxyethyl)-4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394953
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119542099
3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
CID 119375100
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479664
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119516887
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119543123) is N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(CNC)CC2)c1.Cl.
What is the InChIKey of N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is ZVWKYJLIKXIBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-4-19-24(22,23)15-6-5-13(2)16(11-15)17(21)20-9-7-14(8-10-20)12-18-3;/h5-6,11,14,18-19H,4,7-10,12H2,1-3H3;1H.
What are the key properties of N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119543123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).