3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole

C8H17N5O3S — CID 106002393

IUPAC3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole
SMILESCN(CCCO)S(=O)(=O)NCc1ncn(C)n1
InChIInChI=1S/C8H17N5O3S/c1-12-7-9-8(11-12)6-10-17(15,16)13(2)4-3-5-14/h7,10,14H,3-6H2,1-2H3
InChIKeyZKRSUHQVXYTNGC-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.54
Rot. Bonds7

About 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole

3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole (PubChem CID 106002393) has the molecular formula C8H17N5O3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole
PubChem CID106002393
Molecular FormulaC8H17N5O3S
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole
SMILESCN(CCCO)S(=O)(=O)NCc1ncn(C)n1
InChIInChI=1S/C8H17N5O3S/c1-12-7-9-8(11-12)6-10-17(15,16)13(2)4-3-5-14/h7,10,14H,3-6H2,1-2H3
InChIKeyZKRSUHQVXYTNGC-UHFFFAOYSA-N
XLogP-1.54
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole (CID 106002393) is 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole is CN(CCCO)S(=O)(=O)NCc1ncn(C)n1.
What is the InChIKey of 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole?
The InChIKey is ZKRSUHQVXYTNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3S/c1-12-7-9-8(11-12)6-10-17(15,16)13(2)4-3-5-14/h7,10,14H,3-6H2,1-2H3.
What are the key properties of 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole?
3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole has a molecular weight of 263.32 g/mol, XLogP of -1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 106002393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).