2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide

C14H28N2OS — CID 83143832

IUPAC2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
SMILESCCC(CC)(C(=O)NCC(C)C(C)(C)C)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-7-14(8-2,11(15)18)12(17)16-9-10(3)13(4,5)6/h10H,7-9H2,1-6H3,(H2,15,18)(H,16,17)
InChIKeyQMCZJLLJNXIQCF-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.88
Rot. Bonds6

About 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide

2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide (PubChem CID 83143832) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
PubChem CID83143832
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
SMILESCCC(CC)(C(=O)NCC(C)C(C)(C)C)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-7-14(8-2,11(15)18)12(17)16-9-10(3)13(4,5)6/h10H,7-9H2,1-6H3,(H2,15,18)(H,16,17)
InChIKeyQMCZJLLJNXIQCF-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide 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-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
CID 83144311
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
CID 83142236
2-carbamothioyl-2-ethyl-N-(5-methylhexyl)butanamide
CID 115325676
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
CID 63839034
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
CID 63960224
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2-carbamothioyl-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylbutanamide
CID 114127743
2-(N'-hydroxycarbamimidoyl)-N-(2,3,3-trimethylbutyl)butanamide
CID 83143925
N-(3-carbamothioylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 63834681
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide
CID 106338832

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide?
The IUPAC name of 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide (CID 83143832) is 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide is CCC(CC)(C(=O)NCC(C)C(C)(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide?
The InChIKey is QMCZJLLJNXIQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-7-14(8-2,11(15)18)12(17)16-9-10(3)13(4,5)6/h10H,7-9H2,1-6H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide?
2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide has a molecular weight of 272.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide is sourced from PubChem (CID 83143832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).