5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide

C12H13N3O4S2 — CID 122187179

IUPAC5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1
InChIInChI=1S/C12H13N3O4S2/c13-21(17,18)10-4-3-9(20-10)8-7-14-11(19-8)12(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H2,13,17,18)
InChIKeyZWTIRPBEOWORBA-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.29
Rot. Bonds3

About 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide

5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 122187179) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID122187179
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1
InChIInChI=1S/C12H13N3O4S2/c13-21(17,18)10-4-3-9(20-10)8-7-14-11(19-8)12(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H2,13,17,18)
InChIKeyZWTIRPBEOWORBA-UHFFFAOYSA-N
XLogP1.29
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide (CID 122187179) is 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1.
What is the InChIKey of 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is ZWTIRPBEOWORBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c13-21(17,18)10-4-3-9(20-10)8-7-14-11(19-8)12(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H2,13,17,18).
What are the key properties of 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 327.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 122187179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).