hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane

C15H31NO3S2 — CID 150063796

IUPAChydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)OCCCCCCCCCCN1CCCCC1
InChIInChI=1S/C15H31NO3S2/c17-21(18,20)19-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h1-15H2,(H,17,18,20)
InChIKeyDNVJUUHAJCWNEU-UHFFFAOYSA-N
MW337.55 g/mol
LogP3.74
Rot. Bonds12

About hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane

hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane (PubChem CID 150063796) has the molecular formula C15H31NO3S2 and a molecular weight of 337.55 g/mol. Its IUPAC name is hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane
PubChem CID150063796
Molecular FormulaC15H31NO3S2
Molecular Weight337.55 g/mol
Exact Mass337.17
IUPAC Namehydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)OCCCCCCCCCCN1CCCCC1
InChIInChI=1S/C15H31NO3S2/c17-21(18,20)19-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h1-15H2,(H,17,18,20)
InChIKeyDNVJUUHAJCWNEU-UHFFFAOYSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-1-ylpropyl hydrogen sulfate
CID 56993472
1-decylpiperidine;methanesulfonic acid
CID 175874627
1-butylpiperidine;propyl hydrogen sulfate
CID 173126609
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
[dihydroxy(oxo)-λ6-sulfanylidene]-(5-pyrrolidin-1-ylpentyl)sulfanium
CID 172840900
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane (CID 150063796) is hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane is O=S(O)(=S)OCCCCCCCCCCN1CCCCC1.
What is the InChIKey of hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane?
The InChIKey is DNVJUUHAJCWNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S2/c17-21(18,20)19-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h1-15H2,(H,17,18,20).
What are the key properties of hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane?
hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane has a molecular weight of 337.55 g/mol, XLogP of 3.74, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(10-piperidin-1-yldecoxy)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 150063796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).