3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride

C6H14ClNO2S — CID 75481116

IUPAC3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCC1(C)CS(=O)(=O)CCN1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-6(2)5-10(8,9)4-3-7-6;/h7H,3-5H2,1-2H3;1H
InChIKeySMFWFOPDXJPCTQ-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.20
Rot. Bonds

About 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride

3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride (PubChem CID 75481116) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
PubChem CID75481116
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCC1(C)CS(=O)(=O)CCN1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-6(2)5-10(8,9)4-3-7-6;/h7H,3-5H2,1-2H3;1H
InChIKeySMFWFOPDXJPCTQ-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The IUPAC name of 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride (CID 75481116) is 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride is CC1(C)CS(=O)(=O)CCN1.Cl.
What is the InChIKey of 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The InChIKey is SMFWFOPDXJPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-6(2)5-10(8,9)4-3-7-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 75481116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).