N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide

C10H19N3O3S — CID 106237122

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NCCOCC(N)=O)C(N)=S
InChIInChI=1S/C10H19N3O3S/c1-3-10(2,8(12)17)9(15)13-4-5-16-6-7(11)14/h3-6H2,1-2H3,(H2,11,14)(H2,12,17)(H,13,15)
InChIKeyQRAFNQTXQDYTJV-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.69
Rot. Bonds8

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide (PubChem CID 106237122) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
PubChem CID106237122
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NCCOCC(N)=O)C(N)=S
InChIInChI=1S/C10H19N3O3S/c1-3-10(2,8(12)17)9(15)13-4-5-16-6-7(11)14/h3-6H2,1-2H3,(H2,11,14)(H2,12,17)(H,13,15)
InChIKeyQRAFNQTXQDYTJV-UHFFFAOYSA-N
XLogP-0.69
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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

2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 106239228
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
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-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291927
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
CID 115426845

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide (CID 106237122) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide is CCC(C)(C(=O)NCCOCC(N)=O)C(N)=S.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide?
The InChIKey is QRAFNQTXQDYTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-3-10(2,8(12)17)9(15)13-4-5-16-6-7(11)14/h3-6H2,1-2H3,(H2,11,14)(H2,12,17)(H,13,15).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide has a molecular weight of 261.35 g/mol, XLogP of -0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide is sourced from PubChem (CID 106237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).