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

C12H24N2OS — CID 103461801

IUPAC2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C12H24N2OS/c1-6-11(3,4)8-14-10(15)12(5,7-2)9(13)16/h6-8H2,1-5H3,(H2,13,16)(H,14,15)
InChIKeyVFLWYFXSVYUPMP-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.24
Rot. Bonds6

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

2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide (PubChem CID 103461801) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
PubChem CID103461801
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C12H24N2OS/c1-6-11(3,4)8-14-10(15)12(5,7-2)9(13)16/h6-8H2,1-5H3,(H2,13,16)(H,14,15)
InChIKeyVFLWYFXSVYUPMP-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbutanamide
CID 113270438
2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291927
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
2-carbamothioyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113270513
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
CID 114125492
2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
CID 103461803
2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82874011

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide (CID 103461801) is 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide is CCC(C)(C)CNC(=O)C(C)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide?
The InChIKey is VFLWYFXSVYUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-6-11(3,4)8-14-10(15)12(5,7-2)9(13)16/h6-8H2,1-5H3,(H2,13,16)(H,14,15).
What are the key properties of 2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide?
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide has a molecular weight of 244.40 g/mol, XLogP of 2.24, 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)-2-methylbutanamide is sourced from PubChem (CID 103461801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).