N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine

C9H14N2OS — CID 58440446

IUPACN-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine
SMILESC=S(=O)(NC)c1ccc(CC)cn1
InChIInChI=1S/C9H14N2OS/c1-4-8-5-6-9(11-7-8)13(3,12)10-2/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyFNUHLQFDVIXLPG-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.85
Rot. Bonds3

About N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine

N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine (PubChem CID 58440446) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine
PubChem CID58440446
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine
SMILESC=S(=O)(NC)c1ccc(CC)cn1
InChIInChI=1S/C9H14N2OS/c1-4-8-5-6-9(11-7-8)13(3,12)10-2/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyFNUHLQFDVIXLPG-UHFFFAOYSA-N
XLogP0.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylpyridine-2-sulfonyl chloride
CID 130115711
lithium 5-ethylpyridine-2-carboxylate
CID 58074033
5-ethyl-2-methylpyridine;propane-1-sulfonic acid
CID 174474831
5-(methoxymethyl)-2-methylsulfonylpyridine
CID 168954994
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
CID 54857460
2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
CID 62142790
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
CID 79187205

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine (CID 58440446) is N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine is C=S(=O)(NC)c1ccc(CC)cn1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine?
The InChIKey is FNUHLQFDVIXLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-8-5-6-9(11-7-8)13(3,12)10-2/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine?
N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)-methylidene-oxo-λ6-sulfanyl]methanamine is sourced from PubChem (CID 58440446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).