4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide

C12H13N3O4S2 — CID 122187184

IUPAC4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1
InChIInChI=1S/C12H13N3O4S2/c13-21(17,18)10-5-8(7-20-10)9-6-14-11(19-9)12(16)15-3-1-2-4-15/h5-7H,1-4H2,(H2,13,17,18)
InChIKeyXITSHBBXCNVWIW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.29
Rot. Bonds3

About 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide

4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 122187184) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID122187184
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1
InChIInChI=1S/C12H13N3O4S2/c13-21(17,18)10-5-8(7-20-10)9-6-14-11(19-9)12(16)15-3-1-2-4-15/h5-7H,1-4H2,(H2,13,17,18)
InChIKeyXITSHBBXCNVWIW-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 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide (CID 122187184) is 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1.
What is the InChIKey of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is XITSHBBXCNVWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c13-21(17,18)10-5-8(7-20-10)9-6-14-11(19-9)12(16)15-3-1-2-4-15/h5-7H,1-4H2,(H2,13,17,18).
What are the key properties of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide?
4-[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 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 122187184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).