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

C8H18N2O4S — CID 60710479

IUPAC3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide
SMILESCN(CCO)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C8H18N2O4S/c1-10(3-5-11)4-7-15(13,14)6-2-8(9)12/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyOADBSINYSYXLEX-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.80
Rot. Bonds8

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

3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide (PubChem CID 60710479) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide
PubChem CID60710479
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide
SMILESCN(CCO)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C8H18N2O4S/c1-10(3-5-11)4-7-15(13,14)6-2-8(9)12/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyOADBSINYSYXLEX-UHFFFAOYSA-N
XLogP-1.80
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide (CID 60710479) is 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide is CN(CCO)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide?
The InChIKey is OADBSINYSYXLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-10(3-5-11)4-7-15(13,14)6-2-8(9)12/h11H,2-7H2,1H3,(H2,9,12).
What are the key properties of 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide?
3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide has a molecular weight of 238.31 g/mol, XLogP of -1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxyethyl(methyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 60710479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).