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

C14H29NOS — CID 106246328

IUPAC1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCCC1(CCC)CN(CC(C)(O)CSC)C1
InChIInChI=1S/C14H29NOS/c1-5-7-14(8-6-2)10-15(11-14)9-13(3,16)12-17-4/h16H,5-12H2,1-4H3
InChIKeyYJKPHQSJVRYHFF-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.00
Rot. Bonds8

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

1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246328) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246328
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCCC1(CCC)CN(CC(C)(O)CSC)C1
InChIInChI=1S/C14H29NOS/c1-5-7-14(8-6-2)10-15(11-14)9-13(3,16)12-17-4/h16H,5-12H2,1-4H3
InChIKeyYJKPHQSJVRYHFF-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246328) is 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol is CCCC1(CCC)CN(CC(C)(O)CSC)C1.
What is the InChIKey of 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is YJKPHQSJVRYHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-7-14(8-6-2)10-15(11-14)9-13(3,16)12-17-4/h16H,5-12H2,1-4H3.
What are the key properties of 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 259.46 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).