2-(2-methylsulfanylethyl)-1,3-thiazinane

C7H15NS2 — CID 66218754

IUPAC2-(2-methylsulfanylethyl)-1,3-thiazinane
SMILESCSCCC1NCCCS1
InChIInChI=1S/C7H15NS2/c1-9-6-3-7-8-4-2-5-10-7/h7-8H,2-6H2,1H3
InChIKeyDAWPZIDQMDEVRJ-UHFFFAOYSA-N
MW177.34 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-methylsulfanylethyl)-1,3-thiazinane

2-(2-methylsulfanylethyl)-1,3-thiazinane (PubChem CID 66218754) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-1,3-thiazinane
PubChem CID66218754
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name2-(2-methylsulfanylethyl)-1,3-thiazinane
SMILESCSCCC1NCCCS1
InChIInChI=1S/C7H15NS2/c1-9-6-3-7-8-4-2-5-10-7/h7-8H,2-6H2,1H3
InChIKeyDAWPZIDQMDEVRJ-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12518
CID 12518
CID 547350
CID 547350
CID 529055
CID 529055
CID 13072565
CID 13072565
CID 529054
CID 529054
CID 529052
CID 529052
CID 12600300
CID 12600300
CID 14953857
CID 14953857
CID 120280
CID 120280
CID 200393
CID 200393
CID 103815
CID 103815
CID 21495166
CID 21495166

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-1,3-thiazinane?
The IUPAC name of 2-(2-methylsulfanylethyl)-1,3-thiazinane (CID 66218754) is 2-(2-methylsulfanylethyl)-1,3-thiazinane.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-1,3-thiazinane?
The canonical SMILES for 2-(2-methylsulfanylethyl)-1,3-thiazinane is CSCCC1NCCCS1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-1,3-thiazinane?
The InChIKey is DAWPZIDQMDEVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-9-6-3-7-8-4-2-5-10-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-1,3-thiazinane?
2-(2-methylsulfanylethyl)-1,3-thiazinane has a molecular weight of 177.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-1,3-thiazinane is sourced from PubChem (CID 66218754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).