4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

C15H18N4O4S — CID 155551316

IUPAC4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNC1CCN(C(=O)c2ncc(-c3ccc(S(N)(=O)=O)cc3)o2)CC1
InChIInChI=1S/C15H18N4O4S/c16-11-5-7-19(8-6-11)15(20)14-18-9-13(23-14)10-1-3-12(4-2-10)24(17,21)22/h1-4,9,11H,5-8,16H2,(H2,17,21,22)
InChIKeyAIYIMYJDUWTUFW-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.55
Rot. Bonds3

About 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 155551316) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID155551316
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNC1CCN(C(=O)c2ncc(-c3ccc(S(N)(=O)=O)cc3)o2)CC1
InChIInChI=1S/C15H18N4O4S/c16-11-5-7-19(8-6-11)15(20)14-18-9-13(23-14)10-1-3-12(4-2-10)24(17,21)22/h1-4,9,11H,5-8,16H2,(H2,17,21,22)
InChIKeyAIYIMYJDUWTUFW-UHFFFAOYSA-N
XLogP0.55
TPSA132.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 155551316) is 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is NC1CCN(C(=O)c2ncc(-c3ccc(S(N)(=O)=O)cc3)o2)CC1.
What is the InChIKey of 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is AIYIMYJDUWTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c16-11-5-7-19(8-6-11)15(20)14-18-9-13(23-14)10-1-3-12(4-2-10)24(17,21)22/h1-4,9,11H,5-8,16H2,(H2,17,21,22).
What are the key properties of 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 155551316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).