N,N-dimethyl-1,1-dioxothietan-3-amine

C5H11NO2S — CID 86191540

IUPACN,N-dimethyl-1,1-dioxothietan-3-amine
SMILESCN(C)C1CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-6(2)5-3-9(7,8)4-5/h5H,3-4H2,1-2H3
InChIKeyJGPXIEUIJMKOTD-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.65
Rot. Bonds1

About N,N-dimethyl-1,1-dioxothietan-3-amine

N,N-dimethyl-1,1-dioxothietan-3-amine (PubChem CID 86191540) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N,N-dimethyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,1-dioxothietan-3-amine
PubChem CID86191540
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN,N-dimethyl-1,1-dioxothietan-3-amine
SMILESCN(C)C1CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-6(2)5-3-9(7,8)4-5/h5H,3-4H2,1-2H3
InChIKeyJGPXIEUIJMKOTD-UHFFFAOYSA-N
XLogP-0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-methylsulphonylethylamine
CID 2817340
3-(Methylamino)thietane 1,1-dioxide
CID 84082940
(1,1-Dioxothietan-3-yl)-(2-fluoroethyl)-dimethylazanium
CID 178137021
N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine
CID 134895453
N,N,2-trimethyl-1,1-dioxothietan-3-amine
CID 134895548
2-(Trimethylazaniumyl)propane-1-sulfonate
CID 13351078
3-Fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 130684643
Trimethyl-(1-oxothietan-3-yl)azanium chloride
CID 24194783
3-Methylsulfonyl-1-propan-2-ylazetidine
CID 22896260
N-methyl-N-(2-methylsulfonylethyl)propan-2-amine
CID 59255045
1-Methyl-3-methylsulfonylazetidine
CID 60002558
3-Methylsulfonyl-1-propylazetidine
CID 68093321

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,1-dioxothietan-3-amine?
The IUPAC name of N,N-dimethyl-1,1-dioxothietan-3-amine (CID 86191540) is N,N-dimethyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for N,N-dimethyl-1,1-dioxothietan-3-amine?
The canonical SMILES for N,N-dimethyl-1,1-dioxothietan-3-amine is CN(C)C1CS(=O)(=O)C1.
What is the InChIKey of N,N-dimethyl-1,1-dioxothietan-3-amine?
The InChIKey is JGPXIEUIJMKOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6(2)5-3-9(7,8)4-5/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-1,1-dioxothietan-3-amine?
N,N-dimethyl-1,1-dioxothietan-3-amine has a molecular weight of 149.22 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1-dioxothietan-3-amine is sourced from PubChem (CID 86191540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).