3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide

C12H24N2O2S — CID 107391609

IUPAC3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide
SMILESCOCC(C)NC(=S)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H24N2O2S/c1-10(8-15-3)13-11(17)14-7-5-6-12(2,9-14)16-4/h10H,5-9H2,1-4H3,(H,13,17)
InChIKeyRZYLKJRDDBEZDR-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.40
Rot. Bonds4

About 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide

3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide (PubChem CID 107391609) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide
PubChem CID107391609
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide
SMILESCOCC(C)NC(=S)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H24N2O2S/c1-10(8-15-3)13-11(17)14-7-5-6-12(2,9-14)16-4/h10H,5-9H2,1-4H3,(H,13,17)
InChIKeyRZYLKJRDDBEZDR-UHFFFAOYSA-N
XLogP1.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethyl-N-(1-methoxypropan-2-yl)pyrrolidine-1-carbothioamide
CID 113254039
N-(1-methoxypropan-2-yl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 115570223
3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
CID 115580652
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
4-butan-2-yl-N-(1-methoxypropan-2-yl)piperazine-1-carbothioamide
CID 116508341
N-(1-methoxypropan-2-yl)-4-propylazepane-1-carbothioamide
CID 115598191
3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
CID 113227054
N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carbothioamide
CID 113230370
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide?
The IUPAC name of 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide (CID 107391609) is 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide.
What is the SMILES notation for 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide?
The canonical SMILES for 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide is COCC(C)NC(=S)N1CCCC(C)(OC)C1.
What is the InChIKey of 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide?
The InChIKey is RZYLKJRDDBEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(8-15-3)13-11(17)14-7-5-6-12(2,9-14)16-4/h10H,5-9H2,1-4H3,(H,13,17).
What are the key properties of 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide?
3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide has a molecular weight of 260.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 107391609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).