2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

C11H15N5O3S2 — CID 167966686

IUPAC2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(N3CCNCC3)no2)cc1S(N)(=O)=O
InChIInChI=1S/C11H15N5O3S2/c1-7-9(21(12,17)18)6-8(20-7)10-14-11(15-19-10)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3,(H2,12,17,18)
InChIKeyYYIHFHGOMZNHSD-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.16
Rot. Bonds3

About 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 167966686) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID167966686
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(N3CCNCC3)no2)cc1S(N)(=O)=O
InChIInChI=1S/C11H15N5O3S2/c1-7-9(21(12,17)18)6-8(20-7)10-14-11(15-19-10)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3,(H2,12,17,18)
InChIKeyYYIHFHGOMZNHSD-UHFFFAOYSA-N
XLogP0.16
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 167966686) is 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is Cc1sc(-c2nc(N3CCNCC3)no2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is YYIHFHGOMZNHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-7-9(21(12,17)18)6-8(20-7)10-14-11(15-19-10)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3,(H2,12,17,18).
What are the key properties of 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 329.41 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 167966686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).