1-(1-methylimino-1-oxothian-4-yl)ethanone

C8H15NO2S — CID 134433982

IUPAC1-(1-methylimino-1-oxothian-4-yl)ethanone
SMILESCN=S1(=O)CCC(C(C)=O)CC1
InChIInChI=1S/C8H15NO2S/c1-7(10)8-3-5-12(11,9-2)6-4-8/h8H,3-6H2,1-2H3
InChIKeyGEESVTQQARZLLL-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.08
Rot. Bonds1

About 1-(1-methylimino-1-oxothian-4-yl)ethanone

1-(1-methylimino-1-oxothian-4-yl)ethanone (PubChem CID 134433982) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-(1-methylimino-1-oxothian-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylimino-1-oxothian-4-yl)ethanone
PubChem CID134433982
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-(1-methylimino-1-oxothian-4-yl)ethanone
SMILESCN=S1(=O)CCC(C(C)=O)CC1
InChIInChI=1S/C8H15NO2S/c1-7(10)8-3-5-12(11,9-2)6-4-8/h8H,3-6H2,1-2H3
InChIKeyGEESVTQQARZLLL-UHFFFAOYSA-N
XLogP1.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-1-oxothian-1-ylidene)acetamide
CID 134433983
1-(1,1-dioxothian-4-yl)ethanone
CID 18715022
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
1-methylimino-4-propan-2-ylthiane 1-oxide
CID 164831352
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
N-(1-oxo-4-propanoylthian-1-ylidene)acetamide
CID 139365600
1-(4-bromocyclohexyl)ethanone
CID 118688836
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
1-(4-methylsulfanylcyclohexyl)ethanone
CID 134374203
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
1-(4-acetylcyclohexyl)-2-bromoethanone
CID 170239235

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimino-1-oxothian-4-yl)ethanone?
The IUPAC name of 1-(1-methylimino-1-oxothian-4-yl)ethanone (CID 134433982) is 1-(1-methylimino-1-oxothian-4-yl)ethanone.
What is the SMILES notation for 1-(1-methylimino-1-oxothian-4-yl)ethanone?
The canonical SMILES for 1-(1-methylimino-1-oxothian-4-yl)ethanone is CN=S1(=O)CCC(C(C)=O)CC1.
What is the InChIKey of 1-(1-methylimino-1-oxothian-4-yl)ethanone?
The InChIKey is GEESVTQQARZLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(10)8-3-5-12(11,9-2)6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylimino-1-oxothian-4-yl)ethanone?
1-(1-methylimino-1-oxothian-4-yl)ethanone has a molecular weight of 189.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimino-1-oxothian-4-yl)ethanone is sourced from PubChem (CID 134433982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).