N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide

C7H13N3O2S2 — CID 106338184

IUPACN-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1cc[nH]c1=S
InChIInChI=1S/C7H13N3O2S2/c1-14(11,12)9-3-2-5-10-6-4-8-7(10)13/h4,6,9H,2-3,5H2,1H3,(H,8,13)
InChIKeyYTNWZHIRDMNSCV-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.48
Rot. Bonds5

About N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide

N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide (PubChem CID 106338184) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide
PubChem CID106338184
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC NameN-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1cc[nH]c1=S
InChIInChI=1S/C7H13N3O2S2/c1-14(11,12)9-3-2-5-10-6-4-8-7(10)13/h4,6,9H,2-3,5H2,1H3,(H,8,13)
InChIKeyYTNWZHIRDMNSCV-UHFFFAOYSA-N
XLogP0.48
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide (CID 106338184) is N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1cc[nH]c1=S.
What is the InChIKey of N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide?
The InChIKey is YTNWZHIRDMNSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-14(11,12)9-3-2-5-10-6-4-8-7(10)13/h4,6,9H,2-3,5H2,1H3,(H,8,13).
What are the key properties of N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide?
N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).