4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide

C14H21N3O4S2 — CID 119959258

IUPAC4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
SMILESNC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C14H21N3O4S2/c15-11-7-9-17(10-8-11)23(20,21)14-5-3-13(4-6-14)22(18,19)16-12-1-2-12/h3-6,11-12,16H,1-2,7-10,15H2
InChIKeyZYBGPGYTRNRZNB-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.24
Rot. Bonds5

About 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide

4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide (PubChem CID 119959258) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
PubChem CID119959258
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC Name4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
SMILESNC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C14H21N3O4S2/c15-11-7-9-17(10-8-11)23(20,21)14-5-3-13(4-6-14)22(18,19)16-12-1-2-12/h3-6,11-12,16H,1-2,7-10,15H2
InChIKeyZYBGPGYTRNRZNB-UHFFFAOYSA-N
XLogP0.24
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide (CID 119959258) is 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide is NC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is ZYBGPGYTRNRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c15-11-7-9-17(10-8-11)23(20,21)14-5-3-13(4-6-14)22(18,19)16-12-1-2-12/h3-6,11-12,16H,1-2,7-10,15H2.
What are the key properties of 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide?
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 359.47 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 119959258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).