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

C11H23NOS — CID 146329370

IUPAC2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol
SMILESCC(C)CSC1CN(CC(C)(C)O)C1
InChIInChI=1S/C11H23NOS/c1-9(2)7-14-10-5-12(6-10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3
InChIKeySLADYJMHHFOLHG-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds5

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

2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol (PubChem CID 146329370) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol
PubChem CID146329370
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol
SMILESCC(C)CSC1CN(CC(C)(C)O)C1
InChIInChI=1S/C11H23NOS/c1-9(2)7-14-10-5-12(6-10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3
InChIKeySLADYJMHHFOLHG-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-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol (CID 146329370) is 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol is CC(C)CSC1CN(CC(C)(C)O)C1.
What is the InChIKey of 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol?
The InChIKey is SLADYJMHHFOLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)7-14-10-5-12(6-10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol?
2-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-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-methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol is sourced from PubChem (CID 146329370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).