2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide

C12H26N2S — CID 65248584

IUPAC2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
SMILESCCC(C)(C)N(C)CCC(C)(C)C(N)=S
InChIInChI=1S/C12H26N2S/c1-7-12(4,5)14(6)9-8-11(2,3)10(13)15/h7-9H2,1-6H3,(H2,13,15)
InChIKeyHENXEYFRJIUWRN-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.81
Rot. Bonds6

About 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide

2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide (PubChem CID 65248584) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
PubChem CID65248584
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
SMILESCCC(C)(C)N(C)CCC(C)(C)C(N)=S
InChIInChI=1S/C12H26N2S/c1-7-12(4,5)14(6)9-8-11(2,3)10(13)15/h7-9H2,1-6H3,(H2,13,15)
InChIKeyHENXEYFRJIUWRN-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-[methyl(2-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
The IUPAC name of 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide (CID 65248584) is 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide is CCC(C)(C)N(C)CCC(C)(C)C(N)=S.
What is the InChIKey of 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
The InChIKey is HENXEYFRJIUWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-7-12(4,5)14(6)9-8-11(2,3)10(13)15/h7-9H2,1-6H3,(H2,13,15).
What are the key properties of 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide has a molecular weight of 230.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide is sourced from PubChem (CID 65248584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).