3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide

C11H24N2O4S — CID 60710620

IUPAC3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESCCCCN(CCO)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C11H24N2O4S/c1-2-3-5-13(6-8-14)7-10-18(16,17)9-4-11(12)15/h14H,2-10H2,1H3,(H2,12,15)
InChIKeyREYFRNHJRHSEFN-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.63
Rot. Bonds11

About 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide

3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (PubChem CID 60710620) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
PubChem CID60710620
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESCCCCN(CCO)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C11H24N2O4S/c1-2-3-5-13(6-8-14)7-10-18(16,17)9-4-11(12)15/h14H,2-10H2,1H3,(H2,12,15)
InChIKeyREYFRNHJRHSEFN-UHFFFAOYSA-N
XLogP-0.63
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 173031673
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (CID 60710620) is 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is CCCCN(CCO)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The InChIKey is REYFRNHJRHSEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-2-3-5-13(6-8-14)7-10-18(16,17)9-4-11(12)15/h14H,2-10H2,1H3,(H2,12,15).
What are the key properties of 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide has a molecular weight of 280.39 g/mol, XLogP of -0.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 60710620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).