2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide

C13H26N2O2S — CID 65498299

IUPAC2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCOCCN(CC1(CC(N)=S)CC1)C(C)COC
InChIInChI=1S/C13H26N2O2S/c1-11(9-17-3)15(6-7-16-2)10-13(4-5-13)8-12(14)18/h11H,4-10H2,1-3H3,(H2,14,18)
InChIKeyAYGBHHJKOPSXQB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.43
Rot. Bonds10

About 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65498299) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65498299
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCOCCN(CC1(CC(N)=S)CC1)C(C)COC
InChIInChI=1S/C13H26N2O2S/c1-11(9-17-3)15(6-7-16-2)10-13(4-5-13)8-12(14)18/h11H,4-10H2,1-3H3,(H2,14,18)
InChIKeyAYGBHHJKOPSXQB-UHFFFAOYSA-N
XLogP1.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide 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

2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496597
2-[1-[[butan-2-yl(butyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498090
2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496818
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65009370
2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 79484038
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65495976
N-ethyl-1-methoxy-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 170601924

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide (CID 65498299) is 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide is COCCN(CC1(CC(N)=S)CC1)C(C)COC.
What is the InChIKey of 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is AYGBHHJKOPSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11(9-17-3)15(6-7-16-2)10-13(4-5-13)8-12(14)18/h11H,4-10H2,1-3H3,(H2,14,18).
What are the key properties of 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 274.43 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).