4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide

C12H19N3O4S2 — CID 43605483

IUPAC4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C12H19N3O4S2/c1-14-20(16,17)11-4-6-12(7-5-11)21(18,19)15-8-2-3-10(13)9-15/h4-7,10,14H,2-3,8-9,13H2,1H3
InChIKeyAYWPGUOJFCOBFM-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.29
Rot. Bonds4

About 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide

4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide (PubChem CID 43605483) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
PubChem CID43605483
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C12H19N3O4S2/c1-14-20(16,17)11-4-6-12(7-5-11)21(18,19)15-8-2-3-10(13)9-15/h4-7,10,14H,2-3,8-9,13H2,1H3
InChIKeyAYWPGUOJFCOBFM-UHFFFAOYSA-N
XLogP-0.29
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959764
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide (CID 43605483) is 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
The InChIKey is AYWPGUOJFCOBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-14-20(16,17)11-4-6-12(7-5-11)21(18,19)15-8-2-3-10(13)9-15/h4-7,10,14H,2-3,8-9,13H2,1H3.
What are the key properties of 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide has a molecular weight of 333.44 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43605483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).