2-ethyl-2-(2-sulfanylethoxy)butanamide

C8H17NO2S — CID 142797291

IUPAC2-ethyl-2-(2-sulfanylethoxy)butanamide
SMILESCCC(CC)(OCCS)C(N)=O
InChIInChI=1S/C8H17NO2S/c1-3-8(4-2,7(9)10)11-5-6-12/h12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyGZMGCDNWQAHDAL-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.98
Rot. Bonds6

About 2-ethyl-2-(2-sulfanylethoxy)butanamide

2-ethyl-2-(2-sulfanylethoxy)butanamide (PubChem CID 142797291) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-ethyl-2-(2-sulfanylethoxy)butanamide.

Molecular Properties

Compound Name2-ethyl-2-(2-sulfanylethoxy)butanamide
PubChem CID142797291
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-ethyl-2-(2-sulfanylethoxy)butanamide
SMILESCCC(CC)(OCCS)C(N)=O
InChIInChI=1S/C8H17NO2S/c1-3-8(4-2,7(9)10)11-5-6-12/h12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyGZMGCDNWQAHDAL-UHFFFAOYSA-N
XLogP0.98
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-sulfanylethyl) 3-ethyl-3-[2-oxo-2-(2-sulfanylethoxy)ethyl]pentanedioate
CID 20751692
2-(2-chloroethoxy)-2-ethylbutanoic acid
CID 83226256
2-(3-carboxypentan-3-ylperoxy)-2-ethylbutanoic acid
CID 141153642
2,2-dihydroxybutanamide
CID 22465138
sodium;hydride;2-sulfanylethyl 2-oxopropanoate
CID 173386827
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
2-decoxy-2-ethylbutanoic acid
CID 138578040
N-carbamoyl-2-ethyl-2-methoxybutanamide
CID 23273727
2-ethoxy-2-hydroxypropanediamide
CID 45122517
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
2-hexoxy-2-methylbutanamide
CID 175435377
3-butoxy-3-ethyl-2-methylidenepentanoic acid
CID 87115747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-sulfanylethoxy)butanamide?
The IUPAC name of 2-ethyl-2-(2-sulfanylethoxy)butanamide (CID 142797291) is 2-ethyl-2-(2-sulfanylethoxy)butanamide.
What is the SMILES notation for 2-ethyl-2-(2-sulfanylethoxy)butanamide?
The canonical SMILES for 2-ethyl-2-(2-sulfanylethoxy)butanamide is CCC(CC)(OCCS)C(N)=O.
What is the InChIKey of 2-ethyl-2-(2-sulfanylethoxy)butanamide?
The InChIKey is GZMGCDNWQAHDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-8(4-2,7(9)10)11-5-6-12/h12H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-ethyl-2-(2-sulfanylethoxy)butanamide?
2-ethyl-2-(2-sulfanylethoxy)butanamide has a molecular weight of 191.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-sulfanylethoxy)butanamide is sourced from PubChem (CID 142797291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).