2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide

C12H24N2OS — CID 103461803

IUPAC2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C(N)=S)C(C)C
InChIInChI=1S/C12H24N2OS/c1-6-12(4,5)7-14-11(15)9(8(2)3)10(13)16/h8-9H,6-7H2,1-5H3,(H2,13,16)(H,14,15)
InChIKeyTYXZMJQAAQDHGX-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.10
Rot. Bonds6

About 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide

2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide (PubChem CID 103461803) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
PubChem CID103461803
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C(N)=S)C(C)C
InChIInChI=1S/C12H24N2OS/c1-6-12(4,5)7-14-11(15)9(8(2)3)10(13)16/h8-9H,6-7H2,1-5H3,(H2,13,16)(H,14,15)
InChIKeyTYXZMJQAAQDHGX-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide 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-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79550769
2-carbamothioyl-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
CID 115519819
2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102906212
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
2-carbamothioyl-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 115407171
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
3-amino-N-(2,2-dimethylbutyl)-2-hydroxypropanamide
CID 115180877
2-carbamothioyl-3-methyl-N-(7-methyloctyl)butanamide
CID 107815236
2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362463
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide (CID 103461803) is 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide is CCC(C)(C)CNC(=O)C(C(N)=S)C(C)C.
What is the InChIKey of 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide?
The InChIKey is TYXZMJQAAQDHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-6-12(4,5)7-14-11(15)9(8(2)3)10(13)16/h8-9H,6-7H2,1-5H3,(H2,13,16)(H,14,15).
What are the key properties of 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide?
2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide has a molecular weight of 244.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide is sourced from PubChem (CID 103461803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).