3,4-dimethyl-1,3-thiazinane;ethane

C8H19NS — CID 142151830

IUPAC3,4-dimethyl-1,3-thiazinane;ethane
SMILESCC.CC1CCSCN1C
InChIInChI=1S/C6H13NS.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyZVJJEUREKSFLKQ-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.43
Rot. Bonds

About 3,4-dimethyl-1,3-thiazinane;ethane

3,4-dimethyl-1,3-thiazinane;ethane (PubChem CID 142151830) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 3,4-dimethyl-1,3-thiazinane;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1,3-thiazinane;ethane
PubChem CID142151830
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name3,4-dimethyl-1,3-thiazinane;ethane
SMILESCC.CC1CCSCN1C
InChIInChI=1S/C6H13NS.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyZVJJEUREKSFLKQ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,3-thiazinane;ethane?
The IUPAC name of 3,4-dimethyl-1,3-thiazinane;ethane (CID 142151830) is 3,4-dimethyl-1,3-thiazinane;ethane.
What is the SMILES notation for 3,4-dimethyl-1,3-thiazinane;ethane?
The canonical SMILES for 3,4-dimethyl-1,3-thiazinane;ethane is CC.CC1CCSCN1C.
What is the InChIKey of 3,4-dimethyl-1,3-thiazinane;ethane?
The InChIKey is ZVJJEUREKSFLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-1,3-thiazinane;ethane?
3,4-dimethyl-1,3-thiazinane;ethane has a molecular weight of 161.31 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,3-thiazinane;ethane is sourced from PubChem (CID 142151830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).