2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide

C10H19N3O2S — CID 114291927

IUPAC2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)NCC(=O)N(C)C)C(N)=S
InChIInChI=1S/C10H19N3O2S/c1-5-10(2,8(11)16)9(15)12-6-7(14)13(3)4/h5-6H2,1-4H3,(H2,11,16)(H,12,15)
InChIKeyHZEHJODDLFVYEX-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.11
Rot. Bonds5

About 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide

2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide (PubChem CID 114291927) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
PubChem CID114291927
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)NCC(=O)N(C)C)C(N)=S
InChIInChI=1S/C10H19N3O2S/c1-5-10(2,8(11)16)9(15)12-6-7(14)13(3)4/h5-6H2,1-4H3,(H2,11,16)(H,12,15)
InChIKeyHZEHJODDLFVYEX-UHFFFAOYSA-N
XLogP-0.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113270513
2-carbamothioyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbutanamide
CID 113270438
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpentanamide
CID 130272126
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
2-carbamothioyl-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106035423
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
CID 114125492
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide (CID 114291927) is 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide is CCC(C)(C(=O)NCC(=O)N(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide?
The InChIKey is HZEHJODDLFVYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-10(2,8(11)16)9(15)12-6-7(14)13(3)4/h5-6H2,1-4H3,(H2,11,16)(H,12,15).
What are the key properties of 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide?
2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide has a molecular weight of 245.35 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 114291927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).