2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide

C11H22N2O3S — CID 113270602

IUPAC2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)NCCOCCOC)C(N)=S
InChIInChI=1S/C11H22N2O3S/c1-4-11(2,9(12)17)10(14)13-5-6-16-8-7-15-3/h4-8H2,1-3H3,(H2,12,17)(H,13,14)
InChIKeyYKBNJEVKRNVJPH-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.47
Rot. Bonds9

About 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide

2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide (PubChem CID 113270602) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
PubChem CID113270602
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)NCCOCCOC)C(N)=S
InChIInChI=1S/C11H22N2O3S/c1-4-11(2,9(12)17)10(14)13-5-6-16-8-7-15-3/h4-8H2,1-3H3,(H2,12,17)(H,13,14)
InChIKeyYKBNJEVKRNVJPH-UHFFFAOYSA-N
XLogP0.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
2-carbamothioyl-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106035423
2-carbamothioyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113270513
2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291927
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411
2-carbamothioyl-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107854485
2-carbamothioyl-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylbutanamide
CID 114127743
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide (CID 113270602) is 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide is CCC(C)(C(=O)NCCOCCOC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide?
The InChIKey is YKBNJEVKRNVJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-11(2,9(12)17)10(14)13-5-6-16-8-7-15-3/h4-8H2,1-3H3,(H2,12,17)(H,13,14).
What are the key properties of 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide?
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide is sourced from PubChem (CID 113270602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).