6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione

C7H13NO3S2 — CID 162894474

IUPAC6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione
SMILESCS(=O)(=O)CCC1CCNC(=S)O1
InChIInChI=1S/C7H13NO3S2/c1-13(9,10)5-3-6-2-4-8-7(12)11-6/h6H,2-5H2,1H3,(H,8,12)
InChIKeyNTDXKNROOJRBAK-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.08
Rot. Bonds3

About 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione

6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione (PubChem CID 162894474) has the molecular formula C7H13NO3S2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione.

Molecular Properties

Compound Name6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione
PubChem CID162894474
Molecular FormulaC7H13NO3S2
Molecular Weight223.32 g/mol
Exact Mass223.03
IUPAC Name6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione
SMILESCS(=O)(=O)CCC1CCNC(=S)O1
InChIInChI=1S/C7H13NO3S2/c1-13(9,10)5-3-6-2-4-8-7(12)11-6/h6H,2-5H2,1H3,(H,8,12)
InChIKeyNTDXKNROOJRBAK-UHFFFAOYSA-N
XLogP0.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(2-methylsulfonylethyl)oxolan-2-one
CID 134163414
2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate
CID 72707556
3-(3-methylsulfonylpropyl)pyrrolidin-2-one
CID 104679318
(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane
CID 130336972
3-(2-methylsulfonylethyl)cyclopentan-1-one
CID 64521718
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 115927937
3-(2-methylsulfonylethyl)cyclopentan-1-ol
CID 64513199
1-(2-methylpropyl)-4-(2-methylsulfonylethyl)cyclohexane
CID 175274886
5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115510148
5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 115578460
3-(3-methylsulfonylpropylamino)piperidin-2-one
CID 63191547

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione?
The IUPAC name of 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione (CID 162894474) is 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione.
What is the SMILES notation for 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione?
The canonical SMILES for 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione is CS(=O)(=O)CCC1CCNC(=S)O1.
What is the InChIKey of 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione?
The InChIKey is NTDXKNROOJRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S2/c1-13(9,10)5-3-6-2-4-8-7(12)11-6/h6H,2-5H2,1H3,(H,8,12).
What are the key properties of 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione?
6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione has a molecular weight of 223.32 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione is sourced from PubChem (CID 162894474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).