imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane

C9H14N2OS — CID 58206002

IUPACimino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C(C)c1ccc(C)nc1
InChIInChI=1S/C9H14N2OS/c1-7-4-5-9(6-11-7)8(2)13(3,10)12/h4-6,8,10H,1-3H3
InChIKeyFZQSAEPZYAZQFU-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.13
Rot. Bonds2

About imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane

imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane (PubChem CID 58206002) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
PubChem CID58206002
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Nameimino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C(C)c1ccc(C)nc1
InChIInChI=1S/C9H14N2OS/c1-7-4-5-9(6-11-7)8(2)13(3,10)12/h4-6,8,10H,1-3H3
InChIKeyFZQSAEPZYAZQFU-UHFFFAOYSA-N
XLogP2.13
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane (CID 58206002) is imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane is [H]N=S(C)(=O)C(C)c1ccc(C)nc1.
What is the InChIKey of imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
The InChIKey is FZQSAEPZYAZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-4-5-9(6-11-7)8(2)13(3,10)12/h4-6,8,10H,1-3H3.
What are the key properties of imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane has a molecular weight of 198.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane is sourced from PubChem (CID 58206002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).