5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole

C7H15N5O2S — CID 61453897

IUPAC5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
SMILESCC(C)N(C)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-6(2)12(3)15(13,14)10-4-7-8-5-9-11-7/h5-6,10H,4H2,1-3H3,(H,8,9,11)
InChIKeyLMESVZRPLOAAKZ-UHFFFAOYSA-N
MW233.30 g/mol
LogP-0.52
Rot. Bonds5

About 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole

5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole (PubChem CID 61453897) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
PubChem CID61453897
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC Name5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
SMILESCC(C)N(C)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-6(2)12(3)15(13,14)10-4-7-8-5-9-11-7/h5-6,10H,4H2,1-3H3,(H,8,9,11)
InChIKeyLMESVZRPLOAAKZ-UHFFFAOYSA-N
XLogP-0.52
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole (CID 61453897) is 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole is CC(C)N(C)S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The InChIKey is LMESVZRPLOAAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-6(2)12(3)15(13,14)10-4-7-8-5-9-11-7/h5-6,10H,4H2,1-3H3,(H,8,9,11).
What are the key properties of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole has a molecular weight of 233.30 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 61453897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).