3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide

C11H20N4O2S — CID 80520676

IUPAC3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCn1c(C)nnc1CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H20N4O2S/c1-3-5-15-9(2)13-14-11(15)7-10-8-18(16,17)6-4-12-10/h10,12H,3-8H2,1-2H3
InChIKeyNHKYUBOAZABBBG-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.07
Rot. Bonds4

About 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide

3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80520676) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80520676
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCn1c(C)nnc1CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H20N4O2S/c1-3-5-15-9(2)13-14-11(15)7-10-8-18(16,17)6-4-12-10/h10,12H,3-8H2,1-2H3
InChIKeyNHKYUBOAZABBBG-UHFFFAOYSA-N
XLogP-0.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide 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 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 80520676) is 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide is CCCn1c(C)nnc1CC1CS(=O)(=O)CCN1.
What is the InChIKey of 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is NHKYUBOAZABBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-5-15-9(2)13-14-11(15)7-10-8-18(16,17)6-4-12-10/h10,12H,3-8H2,1-2H3.
What are the key properties of 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 272.37 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80520676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).