2-ethyl-1,3-thiazinane;hydrochloride

C6H14ClNS — CID 3061401

IUPAC2-ethyl-1,3-thiazinane;hydrochloride
SMILESCCC1NCCCS1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-2-6-7-4-3-5-8-6;/h6-7H,2-5H2,1H3;1H
InChIKeyDGKHSJIFQZOIRE-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.87
Rot. Bonds1

About 2-ethyl-1,3-thiazinane;hydrochloride

2-ethyl-1,3-thiazinane;hydrochloride (PubChem CID 3061401) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1,3-thiazinane;hydrochloride
PubChem CID3061401
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name2-ethyl-1,3-thiazinane;hydrochloride
SMILESCCC1NCCCS1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-2-6-7-4-3-5-8-6;/h6-7H,2-5H2,1H3;1H
InChIKeyDGKHSJIFQZOIRE-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-ethyl-1,3-thiazinane;hydrochloride (CID 3061401) is 2-ethyl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-ethyl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-ethyl-1,3-thiazinane;hydrochloride is CCC1NCCCS1.Cl.
What is the InChIKey of 2-ethyl-1,3-thiazinane;hydrochloride?
The InChIKey is DGKHSJIFQZOIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-2-6-7-4-3-5-8-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 2-ethyl-1,3-thiazinane;hydrochloride?
2-ethyl-1,3-thiazinane;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).