3-(2-ethylsulfanylethylamino)butanamide

C8H18N2OS — CID 104668703

IUPAC3-(2-ethylsulfanylethylamino)butanamide
SMILESCCSCCNC(C)CC(N)=O
InChIInChI=1S/C8H18N2OS/c1-3-12-5-4-10-7(2)6-8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyXDJNHJHOUHXPJM-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.59
Rot. Bonds7

About 3-(2-ethylsulfanylethylamino)butanamide

3-(2-ethylsulfanylethylamino)butanamide (PubChem CID 104668703) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethylamino)butanamide.

Molecular Properties

Compound Name3-(2-ethylsulfanylethylamino)butanamide
PubChem CID104668703
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-(2-ethylsulfanylethylamino)butanamide
SMILESCCSCCNC(C)CC(N)=O
InChIInChI=1S/C8H18N2OS/c1-3-12-5-4-10-7(2)6-8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyXDJNHJHOUHXPJM-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)butanamide
CID 54855476
3-(ethylamino)butanamide
CID 18792210
3-(2-propoxyethylamino)butanamide
CID 106452583
3-(3,3,3-trifluoropropylamino)butanamide
CID 115677417
3-(2-sulfamoylethylamino)butanamide
CID 114385219
3-(2-methylpropylamino)butanamide
CID 90751378
3-(3-cyanopropylamino)butanamide
CID 104537137
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
3-(2-cyclobutylethylamino)butanamide
CID 115893474
N-ethyl-2-(2-ethylsulfanylethylamino)-N-methylpropanamide
CID 103108877
2-bromo-N-(2-ethylsulfanylethyl)-3-methylbutanamide
CID 82110735
3-[(4-amino-4-oxobutan-2-yl)amino]-2,2-difluoropropanoic acid
CID 165465811

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethylamino)butanamide?
The IUPAC name of 3-(2-ethylsulfanylethylamino)butanamide (CID 104668703) is 3-(2-ethylsulfanylethylamino)butanamide.
What is the SMILES notation for 3-(2-ethylsulfanylethylamino)butanamide?
The canonical SMILES for 3-(2-ethylsulfanylethylamino)butanamide is CCSCCNC(C)CC(N)=O.
What is the InChIKey of 3-(2-ethylsulfanylethylamino)butanamide?
The InChIKey is XDJNHJHOUHXPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-12-5-4-10-7(2)6-8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of 3-(2-ethylsulfanylethylamino)butanamide?
3-(2-ethylsulfanylethylamino)butanamide has a molecular weight of 190.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethylamino)butanamide is sourced from PubChem (CID 104668703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).