2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol

C11H23NOS — CID 123782288

IUPAC2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol
SMILESCSC(C)CCN1CC(C(C)(C)O)C1
InChIInChI=1S/C11H23NOS/c1-9(14-4)5-6-12-7-10(8-12)11(2,3)13/h9-10,13H,5-8H2,1-4H3
InChIKeyRLFAXPAAMZKERH-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol

2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol (PubChem CID 123782288) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol
PubChem CID123782288
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol
SMILESCSC(C)CCN1CC(C(C)(C)O)C1
InChIInChI=1S/C11H23NOS/c1-9(14-4)5-6-12-7-10(8-12)11(2,3)13/h9-10,13H,5-8H2,1-4H3
InChIKeyRLFAXPAAMZKERH-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol (CID 123782288) is 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol is CSC(C)CCN1CC(C(C)(C)O)C1.
What is the InChIKey of 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol?
The InChIKey is RLFAXPAAMZKERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(14-4)5-6-12-7-10(8-12)11(2,3)13/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol?
2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylsulfanylbutyl)azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 123782288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).