3-(4-ethoxypiperidin-1-yl)pentanethioamide

C12H24N2OS — CID 61220712

IUPAC3-(4-ethoxypiperidin-1-yl)pentanethioamide
SMILESCCOC1CCN(C(CC)CC(N)=S)CC1
InChIInChI=1S/C12H24N2OS/c1-3-10(9-12(13)16)14-7-5-11(6-8-14)15-4-2/h10-11H,3-9H2,1-2H3,(H2,13,16)
InChIKeyUJEWSDUYXVCLQX-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.94
Rot. Bonds6

About 3-(4-ethoxypiperidin-1-yl)pentanethioamide

3-(4-ethoxypiperidin-1-yl)pentanethioamide (PubChem CID 61220712) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)pentanethioamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)pentanethioamide
PubChem CID61220712
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-(4-ethoxypiperidin-1-yl)pentanethioamide
SMILESCCOC1CCN(C(CC)CC(N)=S)CC1
InChIInChI=1S/C12H24N2OS/c1-3-10(9-12(13)16)14-7-5-11(6-8-14)15-4-2/h10-11H,3-9H2,1-2H3,(H2,13,16)
InChIKeyUJEWSDUYXVCLQX-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.94
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-(4-ethoxypiperidin-1-yl)pentan-1-amine
CID 61218236
3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 104710860
4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66430433
3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanethioamide
CID 43581492
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754
3-(3-methylpiperidin-1-yl)pentanethioamide
CID 43367645
3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
CID 61215632
4-(4-ethoxypiperidin-1-yl)pentan-2-amine
CID 64707608
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
2-(4-methoxypiperidin-1-yl)butan-1-amine
CID 43372672
3-(2,3-dimethylpiperidin-1-yl)pentanethioamide
CID 62122843

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)pentanethioamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)pentanethioamide (CID 61220712) is 3-(4-ethoxypiperidin-1-yl)pentanethioamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)pentanethioamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)pentanethioamide is CCOC1CCN(C(CC)CC(N)=S)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)pentanethioamide?
The InChIKey is UJEWSDUYXVCLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-10(9-12(13)16)14-7-5-11(6-8-14)15-4-2/h10-11H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)pentanethioamide?
3-(4-ethoxypiperidin-1-yl)pentanethioamide has a molecular weight of 244.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)pentanethioamide is sourced from PubChem (CID 61220712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).