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

C14H18N4O2S — CID 115825871

IUPAC3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCn1nc(-c2ccccc2)nc1CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H18N4O2S/c1-18-13(9-12-10-21(19,20)8-7-15-12)16-14(17-18)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyJULZCGDRWHQTKW-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.41
Rot. Bonds3

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

3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 115825871) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID115825871
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCn1nc(-c2ccccc2)nc1CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H18N4O2S/c1-18-13(9-12-10-21(19,20)8-7-15-12)16-14(17-18)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyJULZCGDRWHQTKW-UHFFFAOYSA-N
XLogP0.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

3-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 115825867
3-benzyl-1,4-thiazinane 1,1-dioxide
CID 65170799
3-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 80518916
3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80520388
3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 82292536
3-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 80518981
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80520676
3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80515131
3-[(5-chloro-1-ethylbenzimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80514948
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-phenylpropan-2-one
CID 116595361
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 62734128

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 115825871) is 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide is Cn1nc(-c2ccccc2)nc1CC1CS(=O)(=O)CCN1.
What is the InChIKey of 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is JULZCGDRWHQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-13(9-12-10-21(19,20)8-7-15-12)16-14(17-18)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3.
What are the key properties of 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide?
3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 306.39 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 115825871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).