N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide

C8H14N4O3S — CID 28775675

IUPACN-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)N2CCNCC2)on1
InChIInChI=1S/C8H14N4O3S/c1-7-6-8(15-10-7)11-16(13,14)12-4-2-9-3-5-12/h6,9,11H,2-5H2,1H3
InChIKeyQHRZPKDQRPVZJB-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.46
Rot. Bonds3

About N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide

N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide (PubChem CID 28775675) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide
PubChem CID28775675
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)N2CCNCC2)on1
InChIInChI=1S/C8H14N4O3S/c1-7-6-8(15-10-7)11-16(13,14)12-4-2-9-3-5-12/h6,9,11H,2-5H2,1H3
InChIKeyQHRZPKDQRPVZJB-UHFFFAOYSA-N
XLogP-0.46
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide (CID 28775675) is N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide is Cc1cc(NS(=O)(=O)N2CCNCC2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide?
The InChIKey is QHRZPKDQRPVZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-7-6-8(15-10-7)11-16(13,14)12-4-2-9-3-5-12/h6,9,11H,2-5H2,1H3.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide?
N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 28775675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).