4-[ethyl(propan-2-yl)amino]butanethioamide

C9H20N2S — CID 43265806

IUPAC4-[ethyl(propan-2-yl)amino]butanethioamide
SMILESCCN(CCCC(N)=S)C(C)C
InChIInChI=1S/C9H20N2S/c1-4-11(8(2)3)7-5-6-9(10)12/h8H,4-7H2,1-3H3,(H2,10,12)
InChIKeyUTXQZOUJQCUIGV-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.78
Rot. Bonds6

About 4-[ethyl(propan-2-yl)amino]butanethioamide

4-[ethyl(propan-2-yl)amino]butanethioamide (PubChem CID 43265806) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]butanethioamide.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]butanethioamide
PubChem CID43265806
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name4-[ethyl(propan-2-yl)amino]butanethioamide
SMILESCCN(CCCC(N)=S)C(C)C
InChIInChI=1S/C9H20N2S/c1-4-11(8(2)3)7-5-6-9(10)12/h8H,4-7H2,1-3H3,(H2,10,12)
InChIKeyUTXQZOUJQCUIGV-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[ethyl(propan-2-yl)amino]butanethioamide 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-[Propyl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 61604369
4-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 61604402
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 61604526
3-[2-Fluoroethyl(propan-2-yl)amino]propanethioamide
CID 80694392
3-[2-Fluoroethyl(methyl)amino]butanethioamide
CID 80695036
3-[3-Fluoropropyl(propan-2-yl)amino]propanethioamide
CID 81105263
2-[3-Fluoropropyl(propan-2-yl)amino]ethanethioamide
CID 81105765
3-[3-Fluoropropyl(methyl)amino]butanethioamide
CID 81105925
3-[Propan-2-yl(4,4,4-trifluorobutyl)amino]propanethioamide
CID 115513943
3-[Methyl(4,4,4-trifluorobutyl)amino]butanethioamide
CID 115513951
3-(Diethylamino)propanethioamide
CID 15610363
4-(Diethylamino)butanethioamide
CID 24699092

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]butanethioamide?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]butanethioamide (CID 43265806) is 4-[ethyl(propan-2-yl)amino]butanethioamide.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]butanethioamide?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]butanethioamide is CCN(CCCC(N)=S)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]butanethioamide?
The InChIKey is UTXQZOUJQCUIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-4-11(8(2)3)7-5-6-9(10)12/h8H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 4-[ethyl(propan-2-yl)amino]butanethioamide?
4-[ethyl(propan-2-yl)amino]butanethioamide has a molecular weight of 188.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]butanethioamide is sourced from PubChem (CID 43265806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).