N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide

C8H16N4O2S — CID 123568417

IUPACN-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide
SMILESCC(C)(CCc1cn[nH]n1)NS(C)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-8(2,11-15(3,13)14)5-4-7-6-9-12-10-7/h6,11H,4-5H2,1-3H3,(H,9,10,12)
InChIKeyYUNKFSMAFKOQPK-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.07
Rot. Bonds5

About N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide

N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide (PubChem CID 123568417) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide
PubChem CID123568417
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide
SMILESCC(C)(CCc1cn[nH]n1)NS(C)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-8(2,11-15(3,13)14)5-4-7-6-9-12-10-7/h6,11H,4-5H2,1-3H3,(H,9,10,12)
InChIKeyYUNKFSMAFKOQPK-UHFFFAOYSA-N
XLogP0.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide (CID 123568417) is N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide is CC(C)(CCc1cn[nH]n1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide?
The InChIKey is YUNKFSMAFKOQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-8(2,11-15(3,13)14)5-4-7-6-9-12-10-7/h6,11H,4-5H2,1-3H3,(H,9,10,12).
What are the key properties of N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide?
N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide is sourced from PubChem (CID 123568417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).