1-(2-ethylsulfanylethyl)azetidin-3-ol

C7H15NOS — CID 115773113

IUPAC1-(2-ethylsulfanylethyl)azetidin-3-ol
SMILESCCSCCN1CC(O)C1
InChIInChI=1S/C7H15NOS/c1-2-10-4-3-8-5-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyDJCSEOQUXNGVCI-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)azetidin-3-ol

1-(2-ethylsulfanylethyl)azetidin-3-ol (PubChem CID 115773113) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)azetidin-3-ol
PubChem CID115773113
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-(2-ethylsulfanylethyl)azetidin-3-ol
SMILESCCSCCN1CC(O)C1
InChIInChI=1S/C7H15NOS/c1-2-10-4-3-8-5-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyDJCSEOQUXNGVCI-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethylsulfanylethyl)azetidin-3-yl]propanoic acid
CID 116684199
1-(2-ethylsulfanylethyl)azepane
CID 177053539
[1-(2-ethylsulfanylethyl)piperidin-4-yl]methanol
CID 111432876
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten
CID 156720012
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
CID 115741362
2-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]acetamide
CID 126827084
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine
CID 97260572
3-[2-(3-ethylazetidin-1-yl)ethylsulfanyl]propan-1-ol
CID 106305047
1-(3-methylbut-3-enyl)azetidin-3-ol
CID 114476551

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)azetidin-3-ol?
The IUPAC name of 1-(2-ethylsulfanylethyl)azetidin-3-ol (CID 115773113) is 1-(2-ethylsulfanylethyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)azetidin-3-ol?
The canonical SMILES for 1-(2-ethylsulfanylethyl)azetidin-3-ol is CCSCCN1CC(O)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)azetidin-3-ol?
The InChIKey is DJCSEOQUXNGVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-10-4-3-8-5-7(9)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-(2-ethylsulfanylethyl)azetidin-3-ol?
1-(2-ethylsulfanylethyl)azetidin-3-ol has a molecular weight of 161.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)azetidin-3-ol is sourced from PubChem (CID 115773113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).