N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide

C9H15N3O3S — CID 81177337

IUPACN-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide
SMILESO=S(=O)(NCc1ccon1)C1CCNCC1
InChIInChI=1S/C9H15N3O3S/c13-16(14,9-1-4-10-5-2-9)11-7-8-3-6-15-12-8/h3,6,9-11H,1-2,4-5,7H2
InChIKeyCJWJFJLGWOYOKC-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.15
Rot. Bonds4

About N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide

N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide (PubChem CID 81177337) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide
PubChem CID81177337
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide
SMILESO=S(=O)(NCc1ccon1)C1CCNCC1
InChIInChI=1S/C9H15N3O3S/c13-16(14,9-1-4-10-5-2-9)11-7-8-3-6-15-12-8/h3,6,9-11H,1-2,4-5,7H2
InChIKeyCJWJFJLGWOYOKC-UHFFFAOYSA-N
XLogP-0.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide (CID 81177337) is N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide is O=S(=O)(NCc1ccon1)C1CCNCC1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide?
The InChIKey is CJWJFJLGWOYOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-16(14,9-1-4-10-5-2-9)11-7-8-3-6-15-12-8/h3,6,9-11H,1-2,4-5,7H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide?
N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)piperidine-4-sulfonamide is sourced from PubChem (CID 81177337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).