3,5-dimethyl-1,3-thiazinane;ethane

C8H19NS — CID 91460032

IUPAC3,5-dimethyl-1,3-thiazinane;ethane
SMILESCC.CC1CSCN(C)C1
InChIInChI=1S/C6H13NS.C2H6/c1-6-3-7(2)5-8-4-6;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyVNFMAPVBYPEEAG-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.28
Rot. Bonds

About 3,5-dimethyl-1,3-thiazinane;ethane

3,5-dimethyl-1,3-thiazinane;ethane (PubChem CID 91460032) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-thiazinane;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1,3-thiazinane;ethane
PubChem CID91460032
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name3,5-dimethyl-1,3-thiazinane;ethane
SMILESCC.CC1CSCN(C)C1
InChIInChI=1S/C6H13NS.C2H6/c1-6-3-7(2)5-8-4-6;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyVNFMAPVBYPEEAG-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-1,3-dimethylpyrrolidine
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6,8-dimethyl-2-oxa-8-azaspiro[3.5]nonane;ethane
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bis(1,3-dimethylazetidine);3-methyloxetane
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(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
3,5-dimethyl-1,3-thiazinane-6-thione
CID 151175110
3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
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(3S)-3-methylthiolane
CID 58024233

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-thiazinane;ethane?
The IUPAC name of 3,5-dimethyl-1,3-thiazinane;ethane (CID 91460032) is 3,5-dimethyl-1,3-thiazinane;ethane.
What is the SMILES notation for 3,5-dimethyl-1,3-thiazinane;ethane?
The canonical SMILES for 3,5-dimethyl-1,3-thiazinane;ethane is CC.CC1CSCN(C)C1.
What is the InChIKey of 3,5-dimethyl-1,3-thiazinane;ethane?
The InChIKey is VNFMAPVBYPEEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.C2H6/c1-6-3-7(2)5-8-4-6;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,3-thiazinane;ethane?
3,5-dimethyl-1,3-thiazinane;ethane has a molecular weight of 161.31 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-thiazinane;ethane is sourced from PubChem (CID 91460032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).