N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide

C10H20N4O2S — CID 123538518

IUPACN-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide
SMILESCCC(Cc1ncn[nH]1)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H20N4O2S/c1-5-8(6-9-11-7-12-13-9)10(2,3)14-17(4,15)16/h7-8,14H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyXMQUSAZOXKNSJC-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.70
Rot. Bonds6

About N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide

N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide (PubChem CID 123538518) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide
PubChem CID123538518
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide
SMILESCCC(Cc1ncn[nH]1)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H20N4O2S/c1-5-8(6-9-11-7-12-13-9)10(2,3)14-17(4,15)16/h7-8,14H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyXMQUSAZOXKNSJC-UHFFFAOYSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide (CID 123538518) is N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide is CCC(Cc1ncn[nH]1)C(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide?
The InChIKey is XMQUSAZOXKNSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-5-8(6-9-11-7-12-13-9)10(2,3)14-17(4,15)16/h7-8,14H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide?
N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide is sourced from PubChem (CID 123538518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).