5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide

C19H31N3O3S — CID 119520286

IUPAC5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(C)N)CC2)ccc1C
InChIInChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-13-17(8-7-14(18)3)19(23)21-11-9-16(10-12-21)15(4)20/h7-8,13,15-16H,5-6,9-12,20H2,1-4H3
InChIKeyHSJJUYQORHWPNQ-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.22
Rot. Bonds6

About 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide

5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 119520286) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
PubChem CID119520286
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(C)N)CC2)ccc1C
InChIInChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-13-17(8-7-14(18)3)19(23)21-11-9-16(10-12-21)15(4)20/h7-8,13,15-16H,5-6,9-12,20H2,1-4H3
InChIKeyHSJJUYQORHWPNQ-UHFFFAOYSA-N
XLogP2.22
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119412837
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119437192
N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide;hydrochloride
CID 119517905
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
N,N-diethyl-2-methyl-5-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)benzenesulfonamide
CID 75440741
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
CID 119520336
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide (CID 119520286) is 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(C)N)CC2)ccc1C.
What is the InChIKey of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is HSJJUYQORHWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-13-17(8-7-14(18)3)19(23)21-11-9-16(10-12-21)15(4)20/h7-8,13,15-16H,5-6,9-12,20H2,1-4H3.
What are the key properties of 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide?
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 381.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 119520286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).