1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide

C9H11N3O2S2 — CID 71806154

IUPAC1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccsc2)c1
InChIInChI=1S/C9H11N3O2S2/c1-12-5-9(10-7-12)16(13,14)11-4-8-2-3-15-6-8/h2-3,5-7,11H,4H2,1H3
InChIKeyQHGBKEPEEVYZSM-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.96
Rot. Bonds4

About 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide

1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide (PubChem CID 71806154) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
PubChem CID71806154
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccsc2)c1
InChIInChI=1S/C9H11N3O2S2/c1-12-5-9(10-7-12)16(13,14)11-4-8-2-3-15-6-8/h2-3,5-7,11H,4H2,1H3
InChIKeyQHGBKEPEEVYZSM-UHFFFAOYSA-N
XLogP0.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide (CID 71806154) is 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2ccsc2)c1.
What is the InChIKey of 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is QHGBKEPEEVYZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-12-5-9(10-7-12)16(13,14)11-4-8-2-3-15-6-8/h2-3,5-7,11H,4H2,1H3.
What are the key properties of 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide?
1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 257.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 71806154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).