(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride

C6H12ClNO2S — CID 21177635

IUPAC(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride
SMILESC[NH+](C)C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C6H11NO2S.ClH/c1-7(2)6-3-4-10(8,9)5-6;/h3-4,6H,5H2,1-2H3;1H
InChIKeyMJLDQDFYJQFQBS-UHFFFAOYSA-N
MW197.69 g/mol
LogP-4.55
Rot. Bonds1

About (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride

(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride (PubChem CID 21177635) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride.

Molecular Properties

Compound Name(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride
PubChem CID21177635
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride
SMILESC[NH+](C)C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C6H11NO2S.ClH/c1-7(2)6-3-4-10(8,9)5-6;/h3-4,6H,5H2,1-2H3;1H
InChIKeyMJLDQDFYJQFQBS-UHFFFAOYSA-N
XLogP-4.55
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 5-4.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride?
The IUPAC name of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride (CID 21177635) is (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride.
What is the SMILES notation for (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride?
The canonical SMILES for (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride is C[NH+](C)C1C=CS(=O)(=O)C1.[Cl-].
What is the InChIKey of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride?
The InChIKey is MJLDQDFYJQFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-7(2)6-3-4-10(8,9)5-6;/h3-4,6H,5H2,1-2H3;1H.
What are the key properties of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride?
(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride has a molecular weight of 197.69 g/mol, XLogP of -4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride is sourced from PubChem (CID 21177635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).