dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane

C6H13NO2S — CID 123525078

IUPACdihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane
SMILESCS(O)(O)C1=CCNCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-2-4-7-5-3-6/h2,7-9H,3-5H2,1H3
InChIKeyINEVMMZSTBTNKY-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.24
Rot. Bonds1

About dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane

dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane (PubChem CID 123525078) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane
PubChem CID123525078
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Namedihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane
SMILESCS(O)(O)C1=CCNCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-2-4-7-5-3-6/h2,7-9H,3-5H2,1H3
InChIKeyINEVMMZSTBTNKY-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane?
The IUPAC name of dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane (CID 123525078) is dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane.
What is the SMILES notation for dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane?
The canonical SMILES for dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane is CS(O)(O)C1=CCNCC1.
What is the InChIKey of dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane?
The InChIKey is INEVMMZSTBTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6-2-4-7-5-3-6/h2,7-9H,3-5H2,1H3.
What are the key properties of dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane?
dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane has a molecular weight of 163.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-(1,2,3,6-tetrahydropyridin-4-yl)-λ4-sulfane is sourced from PubChem (CID 123525078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).