1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide

C9H13N5O3S — CID 91907155

IUPAC1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cn(C)cn2)no1
InChIInChI=1S/C9H13N5O3S/c1-7-12-8(13-17-7)3-4-11-18(15,16)9-5-14(2)6-10-9/h5-6,11H,3-4H2,1-2H3
InChIKeySMPWSJONAIQCSV-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.37
Rot. Bonds5

About 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 91907155) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide
PubChem CID91907155
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cn(C)cn2)no1
InChIInChI=1S/C9H13N5O3S/c1-7-12-8(13-17-7)3-4-11-18(15,16)9-5-14(2)6-10-9/h5-6,11H,3-4H2,1-2H3
InChIKeySMPWSJONAIQCSV-UHFFFAOYSA-N
XLogP-0.37
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide (CID 91907155) is 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide is Cc1nc(CCNS(=O)(=O)c2cn(C)cn2)no1.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is SMPWSJONAIQCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-7-12-8(13-17-7)3-4-11-18(15,16)9-5-14(2)6-10-9/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 91907155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).