N-(sulfanylidenemethylidene)propane-2-sulfonamide

C4H7NO2S2 — CID 58801033

IUPACN-(sulfanylidenemethylidene)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N=C=S
InChIInChI=1S/C4H7NO2S2/c1-4(2)9(6,7)5-3-8/h4H,1-2H3
InChIKeyCUDRPOJCKHALRH-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.83
Rot. Bonds2

About N-(sulfanylidenemethylidene)propane-2-sulfonamide

N-(sulfanylidenemethylidene)propane-2-sulfonamide (PubChem CID 58801033) has the molecular formula C4H7NO2S2 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(sulfanylidenemethylidene)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(sulfanylidenemethylidene)propane-2-sulfonamide
PubChem CID58801033
Molecular FormulaC4H7NO2S2
Molecular Weight165.24 g/mol
Exact Mass164.99
IUPAC NameN-(sulfanylidenemethylidene)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N=C=S
InChIInChI=1S/C4H7NO2S2/c1-4(2)9(6,7)5-3-8/h4H,1-2H3
InChIKeyCUDRPOJCKHALRH-UHFFFAOYSA-N
XLogP0.83
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(sulfanylidenemethylidene)propane-2-sulfonamide?
The IUPAC name of N-(sulfanylidenemethylidene)propane-2-sulfonamide (CID 58801033) is N-(sulfanylidenemethylidene)propane-2-sulfonamide.
What is the SMILES notation for N-(sulfanylidenemethylidene)propane-2-sulfonamide?
The canonical SMILES for N-(sulfanylidenemethylidene)propane-2-sulfonamide is CC(C)S(=O)(=O)N=C=S.
What is the InChIKey of N-(sulfanylidenemethylidene)propane-2-sulfonamide?
The InChIKey is CUDRPOJCKHALRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S2/c1-4(2)9(6,7)5-3-8/h4H,1-2H3.
What are the key properties of N-(sulfanylidenemethylidene)propane-2-sulfonamide?
N-(sulfanylidenemethylidene)propane-2-sulfonamide has a molecular weight of 165.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(sulfanylidenemethylidene)propane-2-sulfonamide is sourced from PubChem (CID 58801033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).