3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride

C15H26ClN3O4S2 — CID 120998716

IUPAC3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N)CC2)c1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-3-17(4-2)23(19,20)14-6-5-7-15(12-14)24(21,22)18-10-8-13(16)9-11-18;/h5-7,12-13H,3-4,8-11,16H2,1-2H3;1H
InChIKeyQQPSOMIFBBTQIN-UHFFFAOYSA-N
MW411.98 g/mol
LogP1.25
Rot. Bonds6

About 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride

3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride (PubChem CID 120998716) has the molecular formula C15H26ClN3O4S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
PubChem CID120998716
Molecular FormulaC15H26ClN3O4S2
Molecular Weight411.98 g/mol
Exact Mass411.11
IUPAC Name3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N)CC2)c1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-3-17(4-2)23(19,20)14-6-5-7-15(12-14)24(21,22)18-10-8-13(16)9-11-18;/h5-7,12-13H,3-4,8-11,16H2,1-2H3;1H
InChIKeyQQPSOMIFBBTQIN-UHFFFAOYSA-N
XLogP1.25
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
3-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119974672
[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963784
1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 120782397
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride (CID 120998716) is 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N)CC2)c1.Cl.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride?
The InChIKey is QQPSOMIFBBTQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2.ClH/c1-3-17(4-2)23(19,20)14-6-5-7-15(12-14)24(21,22)18-10-8-13(16)9-11-18;/h5-7,12-13H,3-4,8-11,16H2,1-2H3;1H.
What are the key properties of 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride?
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride has a molecular weight of 411.98 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120998716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).