N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C8H17NO2S — CID 103798822

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C8H17NO2S/c1-4-8(11)9-6(2)7(5-10)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyWNGOZTGIBVUHTA-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.62
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 103798822) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID103798822
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C8H17NO2S/c1-4-8(11)9-6(2)7(5-10)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyWNGOZTGIBVUHTA-UHFFFAOYSA-N
XLogP0.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 103798822) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CCC(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is WNGOZTGIBVUHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-8(11)9-6(2)7(5-10)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 191.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 103798822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).