3-ethyl-3-(2-methylsulfinylethyl)azetidine

C8H17NOS — CID 131227081

IUPAC3-ethyl-3-(2-methylsulfinylethyl)azetidine
SMILESCCC1(CCS(C)=O)CNC1
InChIInChI=1S/C8H17NOS/c1-3-8(6-9-7-8)4-5-11(2)10/h9H,3-7H2,1-2H3
InChIKeyKMLSVBHGOHVKME-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds4

About 3-ethyl-3-(2-methylsulfinylethyl)azetidine

3-ethyl-3-(2-methylsulfinylethyl)azetidine (PubChem CID 131227081) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylsulfinylethyl)azetidine.

Molecular Properties

Compound Name3-ethyl-3-(2-methylsulfinylethyl)azetidine
PubChem CID131227081
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-ethyl-3-(2-methylsulfinylethyl)azetidine
SMILESCCC1(CCS(C)=O)CNC1
InChIInChI=1S/C8H17NOS/c1-3-8(6-9-7-8)4-5-11(2)10/h9H,3-7H2,1-2H3
InChIKeyKMLSVBHGOHVKME-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Diethyl-2-methylsulfanylazetidine
CID 54052975
7lambda4-Thia-2-azaspiro[3.5]nonane 7-oxide
CID 118185530
Ethane;7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145675244
3-Tert-butyl-3-(1-methylsulfanylethyl)azetidine
CID 146352750
7-Methylimino-7thia-2-azaspiro[3.5]nonane 7-oxide
CID 169566371
2,2-diethyl-N-methyl-4-methylsulfonylbutan-1-amine
CID 62723246
2,2-diethyl-4-ethylsulfonyl-N-methylbutan-1-amine
CID 62723247
2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine
CID 62724468
2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine
CID 62724469
3-(2-Ethylsulfonylethyl)-3-propylazetidine
CID 79451127
3-(3-Methylsulfonylpropyl)-3-propylazetidine
CID 79451221
3-(2-Methylsulfonylethyl)-3-propan-2-ylazetidine
CID 79451243

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylsulfinylethyl)azetidine?
The IUPAC name of 3-ethyl-3-(2-methylsulfinylethyl)azetidine (CID 131227081) is 3-ethyl-3-(2-methylsulfinylethyl)azetidine.
What is the SMILES notation for 3-ethyl-3-(2-methylsulfinylethyl)azetidine?
The canonical SMILES for 3-ethyl-3-(2-methylsulfinylethyl)azetidine is CCC1(CCS(C)=O)CNC1.
What is the InChIKey of 3-ethyl-3-(2-methylsulfinylethyl)azetidine?
The InChIKey is KMLSVBHGOHVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-8(6-9-7-8)4-5-11(2)10/h9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-(2-methylsulfinylethyl)azetidine?
3-ethyl-3-(2-methylsulfinylethyl)azetidine has a molecular weight of 175.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylsulfinylethyl)azetidine is sourced from PubChem (CID 131227081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).