4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide

C12H24N2O2S — CID 114284265

IUPAC4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide
SMILESCCCOCCN1CCC(OC)(C(N)=S)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-9-16-10-8-14-6-4-12(15-2,5-7-14)11(13)17/h3-10H2,1-2H3,(H2,13,17)
InChIKeySXGGQACIYIZAKT-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.18
Rot. Bonds7

About 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide

4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide (PubChem CID 114284265) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide
PubChem CID114284265
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide
SMILESCCCOCCN1CCC(OC)(C(N)=S)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-9-16-10-8-14-6-4-12(15-2,5-7-14)11(13)17/h3-10H2,1-2H3,(H2,13,17)
InChIKeySXGGQACIYIZAKT-UHFFFAOYSA-N
XLogP1.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide
CID 114284269
[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
CID 107160532
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174949673
N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
CID 106318664
1-(2-propoxyethyl)pyrrolidine-3,4-diol
CID 106671973
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide?
The IUPAC name of 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide (CID 114284265) is 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide.
What is the SMILES notation for 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide?
The canonical SMILES for 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide is CCCOCCN1CCC(OC)(C(N)=S)CC1.
What is the InChIKey of 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide?
The InChIKey is SXGGQACIYIZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-9-16-10-8-14-6-4-12(15-2,5-7-14)11(13)17/h3-10H2,1-2H3,(H2,13,17).
What are the key properties of 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide?
4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide has a molecular weight of 260.40 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-propoxyethyl)piperidine-4-carbothioamide is sourced from PubChem (CID 114284265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).