2-methyl-1-propylimidazole-4-sulfonamide

C7H13N3O2S — CID 62065333

IUPAC2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(N)(=O)=O)nc1C
InChIInChI=1S/C7H13N3O2S/c1-3-4-10-5-7(9-6(10)2)13(8,11)12/h5H,3-4H2,1-2H3,(H2,8,11,12)
InChIKeyKERQHHOEEHGNQR-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.25
Rot. Bonds3

About 2-methyl-1-propylimidazole-4-sulfonamide

2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 62065333) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID62065333
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(N)(=O)=O)nc1C
InChIInChI=1S/C7H13N3O2S/c1-3-4-10-5-7(9-6(10)2)13(8,11)12/h5H,3-4H2,1-2H3,(H2,8,11,12)
InChIKeyKERQHHOEEHGNQR-UHFFFAOYSA-N
XLogP0.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-propylimidazole-4-sulfonamide (CID 62065333) is 2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(N)(=O)=O)nc1C.
What is the InChIKey of 2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is KERQHHOEEHGNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3-4-10-5-7(9-6(10)2)13(8,11)12/h5H,3-4H2,1-2H3,(H2,8,11,12).
What are the key properties of 2-methyl-1-propylimidazole-4-sulfonamide?
2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62065333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).