3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine

C6H14N2O2S — CID 123515499

IUPAC3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine
SMILESCNCCC1(N)CS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8-3-2-6(7)4-11(9,10)5-6/h8H,2-5,7H2,1H3
InChIKeyGYXAMLCNYSLSAJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.28
Rot. Bonds3

About 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine

3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine (PubChem CID 123515499) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine
PubChem CID123515499
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine
SMILESCNCCC1(N)CS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8-3-2-6(7)4-11(9,10)5-6/h8H,2-5,7H2,1H3
InChIKeyGYXAMLCNYSLSAJ-UHFFFAOYSA-N
XLogP-1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-3-(methylamino)-1lambda6-thietane-1,1-dione
CID 137963821
(2R,3S)-2-Methyl-3-((methylsulfonyl)methyl)azetidine
CID 154704276
3-[(Methylamino)methyl]-1lambda6-thietane-1,1-dione
CID 84082939
2-(1,1-dioxothietan-3-yl)-N-methylethanamine
CID 84082937
N,2-dimethyl-1-methylsulfonylbutan-2-amine
CID 88935795
1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine
CID 123225030
2-Methyl-3-((methylsulfonyl)methyl)azetidine
CID 145944937
(2S,3R)-2-Methyl-3-(methylsulfonylmethyl)azetidine
CID 154703381
(2S,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 155289939
N,3-dimethyl-1,1-dioxothietan-3-amine
CID 162359480
(2S)-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 175540871
(2R)-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 175551349

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine?
The IUPAC name of 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine (CID 123515499) is 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine?
The canonical SMILES for 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine is CNCCC1(N)CS(=O)(=O)C1.
What is the InChIKey of 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine?
The InChIKey is GYXAMLCNYSLSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8-3-2-6(7)4-11(9,10)5-6/h8H,2-5,7H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine?
3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine has a molecular weight of 178.26 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-1,1-dioxothietan-3-amine is sourced from PubChem (CID 123515499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).