4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

C5H9NO2S — CID 20813961

IUPAC4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESCN1C=CS(=O)(=O)CC1
InChIInChI=1S/C5H9NO2S/c1-6-2-4-9(7,8)5-3-6/h2,4H,3,5H2,1H3
InChIKeyYOTNZOKKRQKSQQ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.18
Rot. Bonds

About 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (PubChem CID 20813961) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
PubChem CID20813961
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESCN1C=CS(=O)(=O)CC1
InChIInChI=1S/C5H9NO2S/c1-6-2-4-9(7,8)5-3-6/h2,4H,3,5H2,1H3
InChIKeyYOTNZOKKRQKSQQ-UHFFFAOYSA-N
XLogP-0.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (CID 20813961) is 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is CN1C=CS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The InChIKey is YOTNZOKKRQKSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-2-4-9(7,8)5-3-6/h2,4H,3,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide has a molecular weight of 147.20 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 20813961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).