N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine

C3H9N7O2S — CID 84761041

IUPACN'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1nn[nH]n1
InChIInChI=1S/C3H9N7O2S/c4-1-2-5-13(11,12)8-3-6-9-10-7-3/h5H,1-2,4H2,(H2,6,7,8,9,10)
InChIKeyDXGXDCQSGQSYKA-UHFFFAOYSA-N
MW207.22 g/mol
LogP-2.60
Rot. Bonds5

About N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine

N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine (PubChem CID 84761041) has the molecular formula C3H9N7O2S and a molecular weight of 207.22 g/mol. Its IUPAC name is N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine
PubChem CID84761041
Molecular FormulaC3H9N7O2S
Molecular Weight207.22 g/mol
Exact Mass207.05
IUPAC NameN'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1nn[nH]n1
InChIInChI=1S/C3H9N7O2S/c4-1-2-5-13(11,12)8-3-6-9-10-7-3/h5H,1-2,4H2,(H2,6,7,8,9,10)
InChIKeyDXGXDCQSGQSYKA-UHFFFAOYSA-N
XLogP-2.60
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine (CID 84761041) is N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine is NCCNS(=O)(=O)Nc1nn[nH]n1.
What is the InChIKey of N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine?
The InChIKey is DXGXDCQSGQSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N7O2S/c4-1-2-5-13(11,12)8-3-6-9-10-7-3/h5H,1-2,4H2,(H2,6,7,8,9,10).
What are the key properties of N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine?
N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine has a molecular weight of 207.22 g/mol, XLogP of -2.60, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 84761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).