2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid

C3H7N5O3S2 — CID 12799844

IUPAC2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid
SMILESO=S(=O)(O)NCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5O3S2/c9-13(10,11)4-1-2-8-3(12)5-6-7-8/h4H,1-2H2,(H,5,7,12)(H,9,10,11)
InChIKeyLWPNSOKIBJAFLL-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.27
Rot. Bonds4

About 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid

2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid (PubChem CID 12799844) has the molecular formula C3H7N5O3S2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid.

Molecular Properties

Compound Name2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid
PubChem CID12799844
Molecular FormulaC3H7N5O3S2
Molecular Weight225.25 g/mol
Exact Mass225.00
IUPAC Name2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid
SMILESO=S(=O)(O)NCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5O3S2/c9-13(10,11)4-1-2-8-3(12)5-6-7-8/h4H,1-2H2,(H,5,7,12)(H,9,10,11)
InChIKeyLWPNSOKIBJAFLL-UHFFFAOYSA-N
XLogP-1.27
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid 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 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid?
The IUPAC name of 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid (CID 12799844) is 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid.
What is the SMILES notation for 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid?
The canonical SMILES for 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid is O=S(=O)(O)NCCn1[nH]nnc1=S.
What is the InChIKey of 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid?
The InChIKey is LWPNSOKIBJAFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5O3S2/c9-13(10,11)4-1-2-8-3(12)5-6-7-8/h4H,1-2H2,(H,5,7,12)(H,9,10,11).
What are the key properties of 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid?
2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid has a molecular weight of 225.25 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfanylidene-2H-tetrazol-1-yl)ethylsulfamic acid is sourced from PubChem (CID 12799844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).