N-cyclopropyl-1-methylimidazole-4-sulfonamide

C7H11N3O2S — CID 53299087

IUPACN-cyclopropyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C7H11N3O2S/c1-10-4-7(8-5-10)13(11,12)9-6-2-3-6/h4-6,9H,2-3H2,1H3
InChIKeyFCPBNDSXCIBFPL-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.14
Rot. Bonds3

About N-cyclopropyl-1-methylimidazole-4-sulfonamide

N-cyclopropyl-1-methylimidazole-4-sulfonamide (PubChem CID 53299087) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-cyclopropyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methylimidazole-4-sulfonamide
PubChem CID53299087
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-cyclopropyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C7H11N3O2S/c1-10-4-7(8-5-10)13(11,12)9-6-2-3-6/h4-6,9H,2-3H2,1H3
InChIKeyFCPBNDSXCIBFPL-UHFFFAOYSA-N
XLogP-0.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1-methyl-1H-imidazole-4-sulfonyl chloride
CID 2736887
1-methyl-1H-imidazole-5-sulfonyl chloride
CID 2736888
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638
1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
CID 54595262
1-(2-methylpropyl)-1H-imidazole-4-sulfonyl chloride
CID 54595593

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1-methylimidazole-4-sulfonamide (CID 53299087) is N-cyclopropyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-1-methylimidazole-4-sulfonamide?
The InChIKey is FCPBNDSXCIBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-10-4-7(8-5-10)13(11,12)9-6-2-3-6/h4-6,9H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-1-methylimidazole-4-sulfonamide?
N-cyclopropyl-1-methylimidazole-4-sulfonamide has a molecular weight of 201.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 53299087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).