N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

C17H25N3O3S — CID 119490233

IUPACN-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNC1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1
InChIInChI=1S/C17H25N3O3S/c1-12-5-8-15(24(22,23)19-13-6-7-13)10-16(12)17(21)20-9-3-4-14(11-20)18-2/h5,8,10,13-14,18-19H,3-4,6-7,9,11H2,1-2H3
InChIKeyIDWNEUPQKXHCQS-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.26
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 119490233) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID119490233
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNC1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1
InChIInChI=1S/C17H25N3O3S/c1-12-5-8-15(24(22,23)19-13-6-7-13)10-16(12)17(21)20-9-3-4-14(11-20)18-2/h5,8,10,13-14,18-19H,3-4,6-7,9,11H2,1-2H3
InChIKeyIDWNEUPQKXHCQS-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 119594513
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
[3-(methylamino)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 62534652
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505338
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787
4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55654688
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (CID 119490233) is N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is CNC1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is IDWNEUPQKXHCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-5-8-15(24(22,23)19-13-6-7-13)10-16(12)17(21)20-9-3-4-14(11-20)18-2/h5,8,10,13-14,18-19H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 119490233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).