5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide

C7H13NO2S — CID 45096664

IUPAC5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
SMILESCC(C)C1=CS(=O)(=O)CCN1
InChIInChI=1S/C7H13NO2S/c1-6(2)7-5-11(9,10)4-3-8-7/h5-6,8H,3-4H2,1-2H3
InChIKeyHPVLESOFTZHCJW-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.50
Rot. Bonds1

About 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide

5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide (PubChem CID 45096664) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
PubChem CID45096664
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
SMILESCC(C)C1=CS(=O)(=O)CCN1
InChIInChI=1S/C7H13NO2S/c1-6(2)7-5-11(9,10)4-3-8-7/h5-6,8H,3-4H2,1-2H3
InChIKeyHPVLESOFTZHCJW-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 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 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide (CID 45096664) is 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide is CC(C)C1=CS(=O)(=O)CCN1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide?
The InChIKey is HPVLESOFTZHCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-6(2)7-5-11(9,10)4-3-8-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide?
5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide has a molecular weight of 175.25 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 45096664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).