hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane

C6H13NO2S — CID 91537889

IUPAChydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
SMILESC=S(=O)(O)N1CCCCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)7-5-3-2-4-6-7/h1-6H2,(H,8,9)
InChIKeyJPANBHIFLBWUHB-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.58
Rot. Bonds1

About hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane

hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane (PubChem CID 91537889) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
PubChem CID91537889
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Namehydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
SMILESC=S(=O)(O)N1CCCCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)7-5-3-2-4-6-7/h1-6H2,(H,8,9)
InChIKeyJPANBHIFLBWUHB-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

piperidine-1-sulfonic acid
CID 558632
pyrrolidine-1-sulfonic acid;hydrochloride
CID 174453164
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
CID 101272185
N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide
CID 13191162
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 87431538
dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine
CID 165136190
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
cyclobutane;phosphane;sulfuric acid
CID 174420693
1-(difluoromethylsulfonyl)azepane
CID 58435955
1-methyliodanuidylsulfonylpiperidine
CID 147964763

Frequently Asked Questions

What is the IUPAC name of hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane?
The IUPAC name of hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane (CID 91537889) is hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane.
What is the SMILES notation for hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane?
The canonical SMILES for hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane is C=S(=O)(O)N1CCCCC1.
What is the InChIKey of hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane?
The InChIKey is JPANBHIFLBWUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)7-5-3-2-4-6-7/h1-6H2,(H,8,9).
What are the key properties of hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane?
hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane has a molecular weight of 163.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane is sourced from PubChem (CID 91537889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).