piperidine;sulfurothioic O-acid

C5H13NO3S2 — CID 67609084

IUPACpiperidine;sulfurothioic O-acid
SMILESC1CCNCC1.O=S(O)(O)=S
InChIInChI=1S/C5H11N.H2O3S2/c1-2-4-6-5-3-1;1-5(2,3)4/h6H,1-5H2;(H2,1,2,3,4)
InChIKeyJXYNSOLWDVQNQI-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.44
Rot. Bonds

About piperidine;sulfurothioic O-acid

piperidine;sulfurothioic O-acid (PubChem CID 67609084) has the molecular formula C5H13NO3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is piperidine;sulfurothioic O-acid.

Molecular Properties

Compound Namepiperidine;sulfurothioic O-acid
PubChem CID67609084
Molecular FormulaC5H13NO3S2
Molecular Weight199.30 g/mol
Exact Mass199.03
IUPAC Namepiperidine;sulfurothioic O-acid
SMILESC1CCNCC1.O=S(O)(O)=S
InChIInChI=1S/C5H11N.H2O3S2/c1-2-4-6-5-3-1;1-5(2,3)4/h6H,1-5H2;(H2,1,2,3,4)
InChIKeyJXYNSOLWDVQNQI-UHFFFAOYSA-N
XLogP0.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine;sulfurothioic O-acid?
The IUPAC name of piperidine;sulfurothioic O-acid (CID 67609084) is piperidine;sulfurothioic O-acid.
What is the SMILES notation for piperidine;sulfurothioic O-acid?
The canonical SMILES for piperidine;sulfurothioic O-acid is C1CCNCC1.O=S(O)(O)=S.
What is the InChIKey of piperidine;sulfurothioic O-acid?
The InChIKey is JXYNSOLWDVQNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.H2O3S2/c1-2-4-6-5-3-1;1-5(2,3)4/h6H,1-5H2;(H2,1,2,3,4).
What are the key properties of piperidine;sulfurothioic O-acid?
piperidine;sulfurothioic O-acid has a molecular weight of 199.30 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;sulfurothioic O-acid is sourced from PubChem (CID 67609084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).