4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide

C9H16N2OS — CID 130621040

IUPAC4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC=C(COC)CC1
InChIInChI=1S/C9H16N2OS/c1-10-9(13)11-5-3-8(4-6-11)7-12-2/h3H,4-7H2,1-2H3,(H,10,13)
InChIKeyJSYRHKXHEXJGRH-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.77
Rot. Bonds2

About 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide

4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 130621040) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID130621040
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC=C(COC)CC1
InChIInChI=1S/C9H16N2OS/c1-10-9(13)11-5-3-8(4-6-11)7-12-2/h3H,4-7H2,1-2H3,(H,10,13)
InChIKeyJSYRHKXHEXJGRH-UHFFFAOYSA-N
XLogP0.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409778
N-(2-chloroacetyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412226
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036253
N-(3-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412228
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 130621040) is 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CNC(=S)N1CC=C(COC)CC1.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is JSYRHKXHEXJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-10-9(13)11-5-3-8(4-6-11)7-12-2/h3H,4-7H2,1-2H3,(H,10,13).
What are the key properties of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 200.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 130621040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).