2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide

C9H18N2OS — CID 130647806

IUPAC2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
SMILESCNC(=S)N1CCCCC1COC
InChIInChI=1S/C9H18N2OS/c1-10-9(13)11-6-4-3-5-8(11)7-12-2/h8H,3-7H2,1-2H3,(H,10,13)
InChIKeyMLPRBLWNXDNQPM-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.99
Rot. Bonds2

About 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide

2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide (PubChem CID 130647806) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
PubChem CID130647806
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
SMILESCNC(=S)N1CCCCC1COC
InChIInChI=1S/C9H18N2OS/c1-10-9(13)11-6-4-3-5-8(11)7-12-2/h8H,3-7H2,1-2H3,(H,10,13)
InChIKeyMLPRBLWNXDNQPM-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
CID 51627761
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
2-ethyl-N-methylazetidine-1-carbothioamide
CID 131084443
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201544
[(2R)-2-(methoxymethyl)piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129359593
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129359602

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide?
The IUPAC name of 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide (CID 130647806) is 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide.
What is the SMILES notation for 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide?
The canonical SMILES for 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide is CNC(=S)N1CCCCC1COC.
What is the InChIKey of 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide?
The InChIKey is MLPRBLWNXDNQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-10-9(13)11-6-4-3-5-8(11)7-12-2/h8H,3-7H2,1-2H3,(H,10,13).
What are the key properties of 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide?
2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide has a molecular weight of 202.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 130647806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).