dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane

C5H12NO2PS — CID 3069227

IUPACdihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
SMILESOP(O)(=S)N1CCCCC1
InChIInChI=1S/C5H12NO2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,10)
InChIKeyRQYVCNPKXXSPSF-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.68
Rot. Bonds1

About dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane

dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane (PubChem CID 3069227) has the molecular formula C5H12NO2PS and a molecular weight of 181.20 g/mol. Its IUPAC name is dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
PubChem CID3069227
Molecular FormulaC5H12NO2PS
Molecular Weight181.20 g/mol
Exact Mass181.03
IUPAC Namedihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
SMILESOP(O)(=S)N1CCCCC1
InChIInChI=1S/C5H12NO2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,10)
InChIKeyRQYVCNPKXXSPSF-UHFFFAOYSA-N
XLogP0.68
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 3069226
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CID 88731525
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CID 153791999
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CID 153846327
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CID 159957717
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CID 160777076

Frequently Asked Questions

What is the IUPAC name of dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane (CID 3069227) is dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane is OP(O)(=S)N1CCCCC1.
What is the InChIKey of dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is RQYVCNPKXXSPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,10).
What are the key properties of dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 181.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3069227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).