4-[butyl(ethyl)amino]butanethioamide

C10H22N2S — CID 24705715

IUPAC4-[butyl(ethyl)amino]butanethioamide
SMILESCCCCN(CC)CCCC(N)=S
InChIInChI=1S/C10H22N2S/c1-3-5-8-12(4-2)9-6-7-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyBDRQBRBLMNUSEW-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.17
Rot. Bonds8

About 4-[butyl(ethyl)amino]butanethioamide

4-[butyl(ethyl)amino]butanethioamide (PubChem CID 24705715) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]butanethioamide.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]butanethioamide
PubChem CID24705715
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name4-[butyl(ethyl)amino]butanethioamide
SMILESCCCCN(CC)CCCC(N)=S
InChIInChI=1S/C10H22N2S/c1-3-5-8-12(4-2)9-6-7-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyBDRQBRBLMNUSEW-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[butyl(ethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]butanethioamide?
The IUPAC name of 4-[butyl(ethyl)amino]butanethioamide (CID 24705715) is 4-[butyl(ethyl)amino]butanethioamide.
What is the SMILES notation for 4-[butyl(ethyl)amino]butanethioamide?
The canonical SMILES for 4-[butyl(ethyl)amino]butanethioamide is CCCCN(CC)CCCC(N)=S.
What is the InChIKey of 4-[butyl(ethyl)amino]butanethioamide?
The InChIKey is BDRQBRBLMNUSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-5-8-12(4-2)9-6-7-10(11)13/h3-9H2,1-2H3,(H2,11,13).
What are the key properties of 4-[butyl(ethyl)amino]butanethioamide?
4-[butyl(ethyl)amino]butanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]butanethioamide is sourced from PubChem (CID 24705715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).