2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride

C8H18ClNOS — CID 75457891

IUPAC2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCCC1(CC)CNCCS1=O.Cl
InChIInChI=1S/C8H17NOS.ClH/c1-3-8(4-2)7-9-5-6-11(8)10;/h9H,3-7H2,1-2H3;1H
InChIKeyDXBCZDGFCRIZHD-UHFFFAOYSA-N
MW211.76 g/mol
LogP1.32
Rot. Bonds2

About 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride

2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 75457891) has the molecular formula C8H18ClNOS and a molecular weight of 211.76 g/mol. Its IUPAC name is 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID75457891
Molecular FormulaC8H18ClNOS
Molecular Weight211.76 g/mol
Exact Mass211.08
IUPAC Name2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCCC1(CC)CNCCS1=O.Cl
InChIInChI=1S/C8H17NOS.ClH/c1-3-8(4-2)7-9-5-6-11(8)10;/h9H,3-7H2,1-2H3;1H
InChIKeyDXBCZDGFCRIZHD-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.76
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride (CID 75457891) is 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride is CCC1(CC)CNCCS1=O.Cl.
What is the InChIKey of 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is DXBCZDGFCRIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS.ClH/c1-3-8(4-2)7-9-5-6-11(8)10;/h9H,3-7H2,1-2H3;1H.
What are the key properties of 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride?
2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 211.76 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 75457891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).