2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide

C11H23N3S — CID 65495976

IUPAC2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
SMILESCN(C)CCN(C)CC1(CC(N)=S)CC1
InChIInChI=1S/C11H23N3S/c1-13(2)6-7-14(3)9-11(4-5-11)8-10(12)15/h4-9H2,1-3H3,(H2,12,15)
InChIKeyRCIYAQWPXZYZRG-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.94
Rot. Bonds7

About 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide

2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65495976) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
PubChem CID65495976
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
SMILESCN(C)CCN(C)CC1(CC(N)=S)CC1
InChIInChI=1S/C11H23N3S/c1-13(2)6-7-14(3)9-11(4-5-11)8-10(12)15/h4-9H2,1-3H3,(H2,12,15)
InChIKeyRCIYAQWPXZYZRG-UHFFFAOYSA-N
XLogP0.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[[2-(dimethylamino)ethyl-methylamino]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-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496818
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498524
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65495325
2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
CID 65496396
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496597
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65496384
2-[1-[[butan-2-yl(butyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498090
2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 79484038
2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
CID 65498550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide (CID 65495976) is 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide is CN(C)CCN(C)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is RCIYAQWPXZYZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-13(2)6-7-14(3)9-11(4-5-11)8-10(12)15/h4-9H2,1-3H3,(H2,12,15).
What are the key properties of 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 229.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65495976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).