2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide

C11H22N2OS — CID 65496818

IUPAC2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCOCCCN(C)CC1(CC(N)=S)CC1
InChIInChI=1S/C11H22N2OS/c1-13(6-3-7-14-2)9-11(4-5-11)8-10(12)15/h3-9H2,1-2H3,(H2,12,15)
InChIKeyRZXSKHCVXQOYCW-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.41
Rot. Bonds8

About 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65496818) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65496818
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCOCCCN(C)CC1(CC(N)=S)CC1
InChIInChI=1S/C11H22N2OS/c1-13(6-3-7-14-2)9-11(4-5-11)8-10(12)15/h3-9H2,1-2H3,(H2,12,15)
InChIKeyRZXSKHCVXQOYCW-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[[3-methoxypropyl(methyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65496818) is 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide is COCCCN(C)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is RZXSKHCVXQOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-13(6-3-7-14-2)9-11(4-5-11)8-10(12)15/h3-9H2,1-2H3,(H2,12,15).
What are the key properties of 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 230.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).