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

C7H15NO4S — CID 79192327

IUPAC4-hydroxy-N-(2-methylsulfonylethyl)butanamide
SMILESCS(=O)(=O)CCNC(=O)CCCO
InChIInChI=1S/C7H15NO4S/c1-13(11,12)6-4-8-7(10)3-2-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyKUPIFAIREDMQHZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds6

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

4-hydroxy-N-(2-methylsulfonylethyl)butanamide (PubChem CID 79192327) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylsulfonylethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylsulfonylethyl)butanamide
PubChem CID79192327
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-hydroxy-N-(2-methylsulfonylethyl)butanamide
SMILESCS(=O)(=O)CCNC(=O)CCCO
InChIInChI=1S/C7H15NO4S/c1-13(11,12)6-4-8-7(10)3-2-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyKUPIFAIREDMQHZ-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

4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
CID 79192328
N-(2-methylsulfonylethyl)-4-oxohept-5-enamide
CID 123779689
ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol
CID 166155063
N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
CID 110408260
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
methyl 3-(3-methylsulfonylpropanoylamino)propanoate
CID 55029430

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylsulfonylethyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-methylsulfonylethyl)butanamide (CID 79192327) is 4-hydroxy-N-(2-methylsulfonylethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylsulfonylethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-methylsulfonylethyl)butanamide is CS(=O)(=O)CCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(2-methylsulfonylethyl)butanamide?
The InChIKey is KUPIFAIREDMQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-13(11,12)6-4-8-7(10)3-2-5-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of 4-hydroxy-N-(2-methylsulfonylethyl)butanamide?
4-hydroxy-N-(2-methylsulfonylethyl)butanamide 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 4-hydroxy-N-(2-methylsulfonylethyl)butanamide is sourced from PubChem (CID 79192327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).