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

C8H17N5O2S — CID 60982439

IUPAC5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
SMILESCCCCN(C)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H17N5O2S/c1-3-4-5-13(2)16(14,15)11-6-8-9-7-10-12-8/h7,11H,3-6H2,1-2H3,(H,9,10,12)
InChIKeyHPUQZLAJFLLUAV-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.13
Rot. Bonds7

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

5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole (PubChem CID 60982439) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
PubChem CID60982439
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC Name5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
SMILESCCCCN(C)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H17N5O2S/c1-3-4-5-13(2)16(14,15)11-6-8-9-7-10-12-8/h7,11H,3-6H2,1-2H3,(H,9,10,12)
InChIKeyHPUQZLAJFLLUAV-UHFFFAOYSA-N
XLogP-0.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 79530009
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 64512890
3-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propane-1-sulfonamide
CID 114137262
1-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 63666633
N-(1H-1,2,4-triazol-5-ylmethyl)butan-1-amine
CID 60978735
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene
CID 39662817
4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 106013145
5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81099217
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide
CID 79673895
N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide
CID 4018351
methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate
CID 61456841
4-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64531603

Frequently Asked Questions

What is the IUPAC name of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole (CID 60982439) is 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole is CCCCN(C)S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The InChIKey is HPUQZLAJFLLUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-3-4-5-13(2)16(14,15)11-6-8-9-7-10-12-8/h7,11H,3-6H2,1-2H3,(H,9,10,12).
What are the key properties of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole has a molecular weight of 247.32 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 60982439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).