3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide

C9H13NO2S — CID 66218181

IUPAC3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(c2ccco2)N1
InChIInChI=1S/C9H13NO2S/c1-7-5-13(11)6-8(10-7)9-3-2-4-12-9/h2-4,7-8,10H,5-6H2,1H3
InChIKeyMTVRIKSZFVESGS-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.06
Rot. Bonds1

About 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide

3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 66218181) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide
PubChem CID66218181
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(c2ccco2)N1
InChIInChI=1S/C9H13NO2S/c1-7-5-13(11)6-8(10-7)9-3-2-4-12-9/h2-4,7-8,10H,5-6H2,1H3
InChIKeyMTVRIKSZFVESGS-UHFFFAOYSA-N
XLogP1.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide
CID 66217685
3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
CID 66231336
5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
3-(furan-2-yl)-2,5-dimethyl-1,4-thiazepane 1,1-dioxide
CID 66234442
(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 142711098
3-(furan-2-yl)-1,2-oxazolidine
CID 174175467
(3R)-3-(furan-2-yl)-1,2-oxazolidine
CID 166135335
(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6543489
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
CID 1239416
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670788

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide (CID 66218181) is 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide is CC1CS(=O)CC(c2ccco2)N1.
What is the InChIKey of 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is MTVRIKSZFVESGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-5-13(11)6-8(10-7)9-3-2-4-12-9/h2-4,7-8,10H,5-6H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 199.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66218181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).