3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide

C10H18N2OS — CID 43266603

IUPAC3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
SMILESCCC1CCCCN1C(=O)CC(N)=S
InChIInChI=1S/C10H18N2OS/c1-2-8-5-3-4-6-12(8)10(13)7-9(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeySTSGIAXMYVVDMF-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide

3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide (PubChem CID 43266603) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
PubChem CID43266603
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
SMILESCCC1CCCCN1C(=O)CC(N)=S
InChIInChI=1S/C10H18N2OS/c1-2-8-5-3-4-6-12(8)10(13)7-9(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeySTSGIAXMYVVDMF-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(2-aminocyclohexyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 55116461
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
2-ethylazepane-1-carbohydrazide
CID 104691127
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108941432
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide (CID 43266603) is 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide is CCC1CCCCN1C(=O)CC(N)=S.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide?
The InChIKey is STSGIAXMYVVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-8-5-3-4-6-12(8)10(13)7-9(11)14/h8H,2-7H2,1H3,(H2,11,14).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide?
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide has a molecular weight of 214.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide is sourced from PubChem (CID 43266603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).