1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol

C10H21NOS — CID 106246309

IUPAC1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CN1CC(C)(C)C1
InChIInChI=1S/C10H21NOS/c1-9(2)5-11(6-9)7-10(3,12)8-13-4/h12H,5-8H2,1-4H3
InChIKeyYMOXNDXBXLNXIS-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.44
Rot. Bonds4

About 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol

1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246309) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246309
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CN1CC(C)(C)C1
InChIInChI=1S/C10H21NOS/c1-9(2)5-11(6-9)7-10(3,12)8-13-4/h12H,5-8H2,1-4H3
InChIKeyYMOXNDXBXLNXIS-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246309) is 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CN1CC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is YMOXNDXBXLNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)5-11(6-9)7-10(3,12)8-13-4/h12H,5-8H2,1-4H3.
What are the key properties of 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).