3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide

C12H24N2OS — CID 63284977

IUPAC3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)C1CCCCC1
InChIInChI=1S/C12H24N2OS/c1-15-10-9-14(8-7-12(13)16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,13,16)
InChIKeyWECNUVGHPNMHBV-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.94
Rot. Bonds7

About 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide

3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide (PubChem CID 63284977) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
PubChem CID63284977
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)C1CCCCC1
InChIInChI=1S/C12H24N2OS/c1-15-10-9-14(8-7-12(13)16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,13,16)
InChIKeyWECNUVGHPNMHBV-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide 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

3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905733
3-[cyclopropyl(2-methoxyethyl)amino]propanimidamide
CID 61451724
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
CID 65175458
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
N'-hydroxy-3-[2-methoxyethyl-(3-methylcyclohexyl)amino]propanimidamide
CID 77023065
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 63285116
N'-cyclopentyl-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 104561146
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
CID 62104556
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
CID 43588484

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide?
The IUPAC name of 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide (CID 63284977) is 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide?
The canonical SMILES for 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide is COCCN(CCC(N)=S)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide?
The InChIKey is WECNUVGHPNMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-15-10-9-14(8-7-12(13)16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,13,16).
What are the key properties of 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide?
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide has a molecular weight of 244.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide is sourced from PubChem (CID 63284977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).