2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide

C12H25N3OS — CID 114292308

IUPAC2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CCCN(C)C)C(N)=S
InChIInChI=1S/C12H25N3OS/c1-6-12(2,10(13)17)11(16)15(5)9-7-8-14(3)4/h6-9H2,1-5H3,(H2,13,17)
InChIKeyJQNYETCSZYOMEF-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.10
Rot. Bonds7

About 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide

2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide (PubChem CID 114292308) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide
PubChem CID114292308
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CCCN(C)C)C(N)=S
InChIInChI=1S/C12H25N3OS/c1-6-12(2,10(13)17)11(16)15(5)9-7-8-14(3)4/h6-9H2,1-5H3,(H2,13,17)
InChIKeyJQNYETCSZYOMEF-UHFFFAOYSA-N
XLogP1.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide 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

2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
CID 114291986
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
CID 114292410
2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide
CID 114242521
2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114291987
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 63693670
2-carbamothioyl-2-methyl-N-pentyl-N-propan-2-ylbutanamide
CID 114292127
N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide
CID 114292035
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
2-carbamothioyl-2-ethyl-N-methyl-N-(3-methylsulfanylpropyl)butanamide
CID 114237236
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
2-carbamothioyl-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 113270576
2-carbamothioyl-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 114292030

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide (CID 114292308) is 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide is CCC(C)(C(=O)N(C)CCCN(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide?
The InChIKey is JQNYETCSZYOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-6-12(2,10(13)17)11(16)15(5)9-7-8-14(3)4/h6-9H2,1-5H3,(H2,13,17).
What are the key properties of 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide?
2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide has a molecular weight of 259.42 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 114292308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).