N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide

C7H15NO4S — CID 156532549

IUPACN-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)CCO
InChIInChI=1S/C7H15NO4S/c1-2-7(10)8-3-5-13(11,12)6-4-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyIZNPEMKJPAZABX-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds6

About N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide

N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide (PubChem CID 156532549) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
PubChem CID156532549
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)CCO
InChIInChI=1S/C7H15NO4S/c1-2-7(10)8-3-5-13(11,12)6-4-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyIZNPEMKJPAZABX-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-propylsulfonylpropyl)propanamide
CID 146416714
tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate
CID 15539257
N-butyl-2-(2-hydroxyethylsulfonyl)acetamide
CID 82181707
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82181706
N-(2-propylsulfonylethyl)acetamide
CID 142065321
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
2-[3-(ethylamino)propylsulfonyl]ethanol
CID 19797796
2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
CID 106722813
N-(2-phosphanylethyl)propanamide
CID 146644677

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide?
The IUPAC name of N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide (CID 156532549) is N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide is CCC(=O)NCCS(=O)(=O)CCO.
What is the InChIKey of N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide?
The InChIKey is IZNPEMKJPAZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-2-7(10)8-3-5-13(11,12)6-4-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide?
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide has a molecular weight of 209.27 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide is sourced from PubChem (CID 156532549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).