4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide

C15H25N3O2S — CID 114503351

IUPAC4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H25N3O2S/c1-12-11-18(2)10-8-15(12)17-21(19,20)14-5-3-13(4-6-14)7-9-16/h3-6,12,15,17H,7-11,16H2,1-2H3
InChIKeyTXEPUWPNQUGQAZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.81
Rot. Bonds5

About 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide

4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 114503351) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
PubChem CID114503351
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H25N3O2S/c1-12-11-18(2)10-8-15(12)17-21(19,20)14-5-3-13(4-6-14)7-9-16/h3-6,12,15,17H,7-11,16H2,1-2H3
InChIKeyTXEPUWPNQUGQAZ-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
SB-258741
CID 9863250
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 3674522

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide (CID 114503351) is 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is TXEPUWPNQUGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-11-18(2)10-8-15(12)17-21(19,20)14-5-3-13(4-6-14)7-9-16/h3-6,12,15,17H,7-11,16H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 114503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).