5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide

C8H14ClN3O2S2 — CID 63965435

IUPAC5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
SMILESCSCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O2S2/c1-12-6-10-8(7(12)9)16(13,14)11-4-3-5-15-2/h6,11H,3-5H2,1-2H3
InChIKeyUSOFZOZTFTWUPQ-UHFFFAOYSA-N
MW283.81 g/mol
LogP1.10
Rot. Bonds6

About 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide (PubChem CID 63965435) has the molecular formula C8H14ClN3O2S2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
PubChem CID63965435
Molecular FormulaC8H14ClN3O2S2
Molecular Weight283.81 g/mol
Exact Mass283.02
IUPAC Name5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
SMILESCSCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O2S2/c1-12-6-10-8(7(12)9)16(13,14)11-4-3-5-15-2/h6,11H,3-5H2,1-2H3
InChIKeyUSOFZOZTFTWUPQ-UHFFFAOYSA-N
XLogP1.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide (CID 63965435) is 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide is CSCCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
The InChIKey is USOFZOZTFTWUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S2/c1-12-6-10-8(7(12)9)16(13,14)11-4-3-5-15-2/h6,11H,3-5H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide has a molecular weight of 283.81 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).