4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

C15H23N3O3S — CID 119434986

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C15H23N3O3S/c1-11(16)14-5-3-4-10-18(14)15(19)12-6-8-13(9-7-12)22(20,21)17-2/h6-9,11,14,17H,3-5,10,16H2,1-2H3
InChIKeyRSMHPWKKFMFQNV-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.94
Rot. Bonds4

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 119434986) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID119434986
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C15H23N3O3S/c1-11(16)14-5-3-4-10-18(14)15(19)12-6-8-13(9-7-12)22(20,21)17-2/h6-9,11,14,17H,3-5,10,16H2,1-2H3
InChIKeyRSMHPWKKFMFQNV-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide;hydrochloride
CID 126783366
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569318
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569319
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355685
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 119434986) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCCCC2C(C)N)cc1.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is RSMHPWKKFMFQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(16)14-5-3-4-10-18(14)15(19)12-6-8-13(9-7-12)22(20,21)17-2/h6-9,11,14,17H,3-5,10,16H2,1-2H3.
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 119434986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).