N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

C18H29N3O3S — CID 119563375

IUPACN,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(NC)CC2)ccc1C
InChIInChI=1S/C18H29N3O3S/c1-5-21(6-2)25(23,24)17-13-15(8-7-14(17)3)18(22)20-11-9-16(19-4)10-12-20/h7-8,13,16,19H,5-6,9-12H2,1-4H3
InChIKeyVLMQLRAVGCTSJU-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.85
Rot. Bonds6

About N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 119563375) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID119563375
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(NC)CC2)ccc1C
InChIInChI=1S/C18H29N3O3S/c1-5-21(6-2)25(23,24)17-13-15(8-7-14(17)3)18(22)20-11-9-16(19-4)10-12-20/h7-8,13,16,19H,5-6,9-12H2,1-4H3
InChIKeyVLMQLRAVGCTSJU-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 119520286
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119412837
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
N,N-diethyl-2-methyl-5-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)benzenesulfonamide
CID 75440741
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389715

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (CID 119563375) is N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(NC)CC2)ccc1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is VLMQLRAVGCTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-21(6-2)25(23,24)17-13-15(8-7-14(17)3)18(22)20-11-9-16(19-4)10-12-20/h7-8,13,16,19H,5-6,9-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 119563375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).