4-[2-(diethylamino)ethylsulfanyl]butanamide

C10H22N2OS — CID 57089705

IUPAC4-[2-(diethylamino)ethylsulfanyl]butanamide
SMILESCCN(CC)CCSCCCC(N)=O
InChIInChI=1S/C10H22N2OS/c1-3-12(4-2)7-9-14-8-5-6-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyJFNXISAMVXLYPJ-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.33
Rot. Bonds9

About 4-[2-(diethylamino)ethylsulfanyl]butanamide

4-[2-(diethylamino)ethylsulfanyl]butanamide (PubChem CID 57089705) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]butanamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]butanamide
PubChem CID57089705
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]butanamide
SMILESCCN(CC)CCSCCCC(N)=O
InChIInChI=1S/C10H22N2OS/c1-3-12(4-2)7-9-14-8-5-6-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyJFNXISAMVXLYPJ-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]butanamide?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]butanamide (CID 57089705) is 4-[2-(diethylamino)ethylsulfanyl]butanamide.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]butanamide?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]butanamide is CCN(CC)CCSCCCC(N)=O.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]butanamide?
The InChIKey is JFNXISAMVXLYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-3-12(4-2)7-9-14-8-5-6-10(11)13/h3-9H2,1-2H3,(H2,11,13).
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]butanamide?
4-[2-(diethylamino)ethylsulfanyl]butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]butanamide is sourced from PubChem (CID 57089705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).