2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine

C7H16N6O2S — CID 114810035

IUPAC2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine
SMILESCC(NS(=O)(=O)NC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C7H16N6O2S/c1-5(6-8-12-13-9-6)10-16(14,15)11-7(2,3)4/h5,10-11H,1-4H3,(H,8,9,12,13)
InChIKeyLZCWJPOBAVESOW-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.52
Rot. Bonds4

About 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine

2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine (PubChem CID 114810035) has the molecular formula C7H16N6O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine
PubChem CID114810035
Molecular FormulaC7H16N6O2S
Molecular Weight248.31 g/mol
Exact Mass248.11
IUPAC Name2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine
SMILESCC(NS(=O)(=O)NC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C7H16N6O2S/c1-5(6-8-12-13-9-6)10-16(14,15)11-7(2,3)4/h5,10-11H,1-4H3,(H,8,9,12,13)
InChIKeyLZCWJPOBAVESOW-UHFFFAOYSA-N
XLogP-0.52
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine (CID 114810035) is 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine is CC(NS(=O)(=O)NC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine?
The InChIKey is LZCWJPOBAVESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6O2S/c1-5(6-8-12-13-9-6)10-16(14,15)11-7(2,3)4/h5,10-11H,1-4H3,(H,8,9,12,13).
What are the key properties of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine?
2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine has a molecular weight of 248.31 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine is sourced from PubChem (CID 114810035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).