imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane

C11H18N2OS — CID 167284363

IUPACimino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane
SMILES[H]N=S(C)(=O)CCc1ccc(CCC)nc1
InChIInChI=1S/C11H18N2OS/c1-3-4-11-6-5-10(9-13-11)7-8-15(2,12)14/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyUXYSJTTVSAGTLZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.25
Rot. Bonds5

About imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane

imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane (PubChem CID 167284363) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane
PubChem CID167284363
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Nameimino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane
SMILES[H]N=S(C)(=O)CCc1ccc(CCC)nc1
InChIInChI=1S/C11H18N2OS/c1-3-4-11-6-5-10(9-13-11)7-8-15(2,12)14/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyUXYSJTTVSAGTLZ-UHFFFAOYSA-N
XLogP2.25
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane (CID 167284363) is imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane is [H]N=S(C)(=O)CCc1ccc(CCC)nc1.
What is the InChIKey of imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane?
The InChIKey is UXYSJTTVSAGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-4-11-6-5-10(9-13-11)7-8-15(2,12)14/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane?
imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane has a molecular weight of 226.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane is sourced from PubChem (CID 167284363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).