2-ethyl-1-methyliminothiolane 1-oxide

C7H15NOS — CID 58088371

IUPAC2-ethyl-1-methyliminothiolane 1-oxide
SMILESCCC1CCCS1(=O)=NC
InChIInChI=1S/C7H15NOS/c1-3-7-5-4-6-10(7,9)8-2/h7H,3-6H2,1-2H3
InChIKeyLLEQAVKLZSZVQL-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.66
Rot. Bonds1

About 2-ethyl-1-methyliminothiolane 1-oxide

2-ethyl-1-methyliminothiolane 1-oxide (PubChem CID 58088371) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-ethyl-1-methyliminothiolane 1-oxide.

Molecular Properties

Compound Name2-ethyl-1-methyliminothiolane 1-oxide
PubChem CID58088371
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-ethyl-1-methyliminothiolane 1-oxide
SMILESCCC1CCCS1(=O)=NC
InChIInChI=1S/C7H15NOS/c1-3-7-5-4-6-10(7,9)8-2/h7H,3-6H2,1-2H3
InChIKeyLLEQAVKLZSZVQL-UHFFFAOYSA-N
XLogP1.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-sulfolane
CID 555247
2-Ethylthiolane 1-oxide
CID 13702250
(2R,5R)-2,5-dimethylthiolane 1-oxide
CID 12385611
(1S,2R)-2-ethylthiolane 1-oxide
CID 9579580
2-Ethyl-1-iminothiolane 1-oxide
CID 58088370
1-Imino-2-methyl-thiolane 1-oxide
CID 58103688
1-Methylimino-2,3,4,5-tetrahydrothiophen-5-ide 1-oxide;yttrium
CID 59215213
1-Methyliminothiolane 1-oxide
CID 59215214
(2R)-2,5-dimethylthiolane 1-oxide
CID 130381687
(2S)-2,5-dimethylthiolane 1-oxide
CID 130381784
(1-Methyliminothiolan-1-ylidene)oxidanium
CID 163808578
Cyclopentyl-methyl-methylimino-oxo-lambda6-sulfane
CID 167494034

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyliminothiolane 1-oxide?
The IUPAC name of 2-ethyl-1-methyliminothiolane 1-oxide (CID 58088371) is 2-ethyl-1-methyliminothiolane 1-oxide.
What is the SMILES notation for 2-ethyl-1-methyliminothiolane 1-oxide?
The canonical SMILES for 2-ethyl-1-methyliminothiolane 1-oxide is CCC1CCCS1(=O)=NC.
What is the InChIKey of 2-ethyl-1-methyliminothiolane 1-oxide?
The InChIKey is LLEQAVKLZSZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-7-5-4-6-10(7,9)8-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-1-methyliminothiolane 1-oxide?
2-ethyl-1-methyliminothiolane 1-oxide has a molecular weight of 161.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyliminothiolane 1-oxide is sourced from PubChem (CID 58088371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).