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

C8H18ClNO2S — CID 75478254

IUPAC2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCCC1(CC)CNCCS1(=O)=O.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-3-8(4-2)7-9-5-6-12(8,10)11;/h9H,3-7H2,1-2H3;1H
InChIKeySLTGOUPPXZWOHM-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.99
Rot. Bonds2

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

2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride (PubChem CID 75478254) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
PubChem CID75478254
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCCC1(CC)CNCCS1(=O)=O.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-3-8(4-2)7-9-5-6-12(8,10)11;/h9H,3-7H2,1-2H3;1H
InChIKeySLTGOUPPXZWOHM-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The IUPAC name of 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride (CID 75478254) is 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The canonical SMILES for 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride is CCC1(CC)CNCCS1(=O)=O.Cl.
What is the InChIKey of 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The InChIKey is SLTGOUPPXZWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-3-8(4-2)7-9-5-6-12(8,10)11;/h9H,3-7H2,1-2H3;1H.
What are the key properties of 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,4-thiazinane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 75478254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).