1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide

C11H22N2OS — CID 107161474

IUPAC1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
SMILESCOCCCN1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C11H22N2OS/c1-11(10(12)15)4-7-13(8-5-11)6-3-9-14-2/h3-9H2,1-2H3,(H2,12,15)
InChIKeyMWWDNBGVQGBOTL-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide

1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161474) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161474
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
SMILESCOCCCN1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C11H22N2OS/c1-11(10(12)15)4-7-13(8-5-11)6-3-9-14-2/h3-9H2,1-2H3,(H2,12,15)
InChIKeyMWWDNBGVQGBOTL-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161621
methyl 4-(4-carbamothioyl-4-methylpiperidin-1-yl)butanoate
CID 107161638
1-(4-methoxybutanoyl)-4-methylpiperidine-4-carbothioamide
CID 107161082
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide
CID 107161548
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161389
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
2-[4-(4-methoxybutyl)piperazin-1-yl]propanethioamide
CID 113436878
4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide
CID 114284265
1-(3-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carbothioamide
CID 107161484

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide (CID 107161474) is 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide is COCCCN1CCC(C)(C(N)=S)CC1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is MWWDNBGVQGBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(10(12)15)4-7-13(8-5-11)6-3-9-14-2/h3-9H2,1-2H3,(H2,12,15).
What are the key properties of 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide?
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 230.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).