4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride

C15H26ClN3O4S2 — CID 120999652

IUPAC4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1C.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-11-10-13(7-8-15(11)23(19,20)17-3)24(21,22)18-9-5-4-6-14(18)12(2)16;/h7-8,10,12,14,17H,4-6,9,16H2,1-3H3;1H
InChIKeyFLPGGAFEUWHRII-UHFFFAOYSA-N
MW411.98 g/mol
LogP1.22
Rot. Bonds5

About 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride

4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120999652) has the molecular formula C15H26ClN3O4S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120999652
Molecular FormulaC15H26ClN3O4S2
Molecular Weight411.98 g/mol
Exact Mass411.11
IUPAC Name4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1C.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-11-10-13(7-8-15(11)23(19,20)17-3)24(21,22)18-9-5-4-6-14(18)12(2)16;/h7-8,10,12,14,17H,4-6,9,16H2,1-3H3;1H
InChIKeyFLPGGAFEUWHRII-UHFFFAOYSA-N
XLogP1.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119965410
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 119965411
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124688177
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965265
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride (CID 120999652) is 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1C.Cl.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is FLPGGAFEUWHRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2.ClH/c1-11-10-13(7-8-15(11)23(19,20)17-3)24(21,22)18-9-5-4-6-14(18)12(2)16;/h7-8,10,12,14,17H,4-6,9,16H2,1-3H3;1H.
What are the key properties of 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 411.98 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120999652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).