imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane

C10H16N2OS — CID 146966429

IUPACimino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cc(C)c(C(C)C)cn1
InChIInChI=1S/C10H16N2OS/c1-7(2)9-6-12-10(5-8(9)3)14(4,11)13/h5-7,11H,1-4H3
InChIKeyALOXWBULWIXHHM-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.55
Rot. Bonds2

About imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane

imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane (PubChem CID 146966429) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane
PubChem CID146966429
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Nameimino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cc(C)c(C(C)C)cn1
InChIInChI=1S/C10H16N2OS/c1-7(2)9-6-12-10(5-8(9)3)14(4,11)13/h5-7,11H,1-4H3
InChIKeyALOXWBULWIXHHM-UHFFFAOYSA-N
XLogP2.55
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane (CID 146966429) is imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cc(C)c(C(C)C)cn1.
What is the InChIKey of imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane?
The InChIKey is ALOXWBULWIXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)9-6-12-10(5-8(9)3)14(4,11)13/h5-7,11H,1-4H3.
What are the key properties of imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane?
imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane has a molecular weight of 212.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(4-methyl-5-propan-2-yl-2-pyridinyl)-oxo-λ6-sulfane is sourced from PubChem (CID 146966429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).