5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide

C11H24N2OS — CID 82951100

IUPAC5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
SMILESCOCCN(CCCCC(N)=S)C(C)C
InChIInChI=1S/C11H24N2OS/c1-10(2)13(8-9-14-3)7-5-4-6-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyUBEZEKFKOGWNEP-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.80
Rot. Bonds9

About 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide

5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide (PubChem CID 82951100) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide.

Molecular Properties

Compound Name5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
PubChem CID82951100
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
SMILESCOCCN(CCCCC(N)=S)C(C)C
InChIInChI=1S/C11H24N2OS/c1-10(2)13(8-9-14-3)7-5-4-6-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyUBEZEKFKOGWNEP-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.80
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 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide 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-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
CID 82965257
3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide
CID 107895715
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
3-[3-[2-methoxyethyl(propan-2-yl)amino]propoxy]benzenecarbothioamide
CID 82938117
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
3-[propan-2-yl(4,4,4-trifluorobutyl)amino]propanethioamide
CID 115513943

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide?
The IUPAC name of 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide (CID 82951100) is 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide.
What is the SMILES notation for 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide?
The canonical SMILES for 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide is COCCN(CCCCC(N)=S)C(C)C.
What is the InChIKey of 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide?
The InChIKey is UBEZEKFKOGWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-10(2)13(8-9-14-3)7-5-4-6-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide?
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide is sourced from PubChem (CID 82951100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).