2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide

C11H22N2O3S — CID 114242521

IUPAC2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CCOCCO)C(N)=S
InChIInChI=1S/C11H22N2O3S/c1-4-11(2,9(12)17)10(15)13(3)5-7-16-8-6-14/h14H,4-8H2,1-3H3,(H2,12,17)
InChIKeyYCMZKJOXXGSUSF-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.16
Rot. Bonds8

About 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide

2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide (PubChem CID 114242521) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide
PubChem CID114242521
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CCOCCO)C(N)=S
InChIInChI=1S/C11H22N2O3S/c1-4-11(2,9(12)17)10(15)13(3)5-7-16-8-6-14/h14H,4-8H2,1-3H3,(H2,12,17)
InChIKeyYCMZKJOXXGSUSF-UHFFFAOYSA-N
XLogP0.16
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide (CID 114242521) is 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide is CCC(C)(C(=O)N(C)CCOCCO)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide?
The InChIKey is YCMZKJOXXGSUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-11(2,9(12)17)10(15)13(3)5-7-16-8-6-14/h14H,4-8H2,1-3H3,(H2,12,17).
What are the key properties of 2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide?
2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.16, 8 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-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 114242521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).