4-hydroxy-N-(2-methylsulfonylethyl)pentanamide

C8H17NO4S — CID 79192328

IUPAC4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
SMILESCC(O)CCC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-7(10)3-4-8(11)9-5-6-14(2,12)13/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyYOZNNNLAWQALTI-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.69
Rot. Bonds6

About 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide

4-hydroxy-N-(2-methylsulfonylethyl)pentanamide (PubChem CID 79192328) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
PubChem CID79192328
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
SMILESCC(O)CCC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-7(10)3-4-8(11)9-5-6-14(2,12)13/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyYOZNNNLAWQALTI-UHFFFAOYSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
4-hydroxy-N-(2-methylsulfonylethyl)butanamide
CID 79192327
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79204974
N-(2-methylsulfonylethyl)-4-oxohept-5-enamide
CID 123779689
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
CID 120562745
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide (CID 79192328) is 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide is CC(O)CCC(=O)NCCS(C)(=O)=O.
What is the InChIKey of 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide?
The InChIKey is YOZNNNLAWQALTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(10)3-4-8(11)9-5-6-14(2,12)13/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide?
4-hydroxy-N-(2-methylsulfonylethyl)pentanamide has a molecular weight of 223.29 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylsulfonylethyl)pentanamide is sourced from PubChem (CID 79192328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).