3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide

C12H24N2O2S — CID 113227054

IUPAC3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
SMILESCCOC1CCCN(C(=S)NC(C)COC)C1
InChIInChI=1S/C12H24N2O2S/c1-4-16-11-6-5-7-14(8-11)12(17)13-10(2)9-15-3/h10-11H,4-9H2,1-3H3,(H,13,17)
InChIKeyDHXHBPDNPSQZMQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.40
Rot. Bonds5

About 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide

3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide (PubChem CID 113227054) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
PubChem CID113227054
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
SMILESCCOC1CCCN(C(=S)NC(C)COC)C1
InChIInChI=1S/C12H24N2O2S/c1-4-16-11-6-5-7-14(8-11)12(17)13-10(2)9-15-3/h10-11H,4-9H2,1-3H3,(H,13,17)
InChIKeyDHXHBPDNPSQZMQ-UHFFFAOYSA-N
XLogP1.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
CID 115580652
N-(1-methoxypropan-2-yl)-4-propylazepane-1-carbothioamide
CID 115598191
N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carbothioamide
CID 113230370
N-(1-methoxypropan-2-yl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 115570223
4-butan-2-yl-N-(1-methoxypropan-2-yl)piperazine-1-carbothioamide
CID 116508341
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide
CID 107391609
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
3,3-diethyl-N-(1-methoxypropan-2-yl)pyrrolidine-1-carbothioamide
CID 113254039
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
The IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide (CID 113227054) is 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide.
What is the SMILES notation for 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
The canonical SMILES for 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide is CCOC1CCCN(C(=S)NC(C)COC)C1.
What is the InChIKey of 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
The InChIKey is DHXHBPDNPSQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-16-11-6-5-7-14(8-11)12(17)13-10(2)9-15-3/h10-11H,4-9H2,1-3H3,(H,13,17).
What are the key properties of 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide has a molecular weight of 260.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide is sourced from PubChem (CID 113227054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).