1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine

C7H15NO2S — CID 123225030

IUPAC1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine
SMILESCCC1(CNC)CS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-3-7(4-8-2)5-11(9,10)6-7/h8H,3-6H2,1-2H3
InChIKeyBHRUWWWCHGRVSD-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.03
Rot. Bonds3

About 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine

1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine (PubChem CID 123225030) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine
PubChem CID123225030
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine
SMILESCCC1(CNC)CS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-3-7(4-8-2)5-11(9,10)6-7/h8H,3-6H2,1-2H3
InChIKeyBHRUWWWCHGRVSD-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6Lambda6-thia-2-azaspiro[3.4]octane-6,6-dione hydrochloride
CID 154733336
7-Thia-2-aza-spiro[3.5]nonane 7,7-dioxide
CID 72207762
3-[(Methylamino)methyl]-1lambda6-thietane-1,1-dione
CID 84082939
6-Thia-2-azaspiro[3.4]octane 6,6-dioxide
CID 84651272
[3-(1-Fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105439413
3-(2-Ethylsulfonylethyl)-3-fluoroazetidine
CID 106735906
3-Fluoro-3-(2-methylsulfonylethyl)azetidine
CID 112563328
2-(1,1-dioxothietan-3-yl)-N-methylethanamine
CID 84082937
2-Thia-6-azaspiro[3.4]octane 2,2-dioxide
CID 97354707
3-[2-(Methylamino)ethyl]-1,1-dioxothietan-3-amine
CID 123515499
2-Thia-6-azaspiro[3.4]octane 2,2-dioxide hydrochloride
CID 137838474
6-Methanesulfonyl-2-azaspiro[3.3]heptane
CID 138991410

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine (CID 123225030) is 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine is CCC1(CNC)CS(=O)(=O)C1.
What is the InChIKey of 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine?
The InChIKey is BHRUWWWCHGRVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-7(4-8-2)5-11(9,10)6-7/h8H,3-6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine?
1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine has a molecular weight of 177.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 123225030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).