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

C9H20N2O4S — CID 60710524

IUPAC3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESCCN(CCO)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C9H20N2O4S/c1-2-11(4-6-12)5-8-16(14,15)7-3-9(10)13/h12H,2-8H2,1H3,(H2,10,13)
InChIKeyJUXOOCVPMUNYRA-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.41
Rot. Bonds9

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

3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (PubChem CID 60710524) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
PubChem CID60710524
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESCCN(CCO)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C9H20N2O4S/c1-2-11(4-6-12)5-8-16(14,15)7-3-9(10)13/h12H,2-8H2,1H3,(H2,10,13)
InChIKeyJUXOOCVPMUNYRA-UHFFFAOYSA-N
XLogP-1.41
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (CID 60710524) is 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is CCN(CCO)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The InChIKey is JUXOOCVPMUNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-2-11(4-6-12)5-8-16(14,15)7-3-9(10)13/h12H,2-8H2,1H3,(H2,10,13).
What are the key properties of 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide has a molecular weight of 252.34 g/mol, XLogP of -1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 60710524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).