N-ethyl-2-methylsulfanyl-4-oxopentanamide

C8H15NO2S — CID 148645996

IUPACN-ethyl-2-methylsulfanyl-4-oxopentanamide
SMILESCCNC(=O)C(CC(C)=O)SC
InChIInChI=1S/C8H15NO2S/c1-4-9-8(11)7(12-3)5-6(2)10/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeyNKYPACMMVAOYGA-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.83
Rot. Bonds5

About N-ethyl-2-methylsulfanyl-4-oxopentanamide

N-ethyl-2-methylsulfanyl-4-oxopentanamide (PubChem CID 148645996) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-4-oxopentanamide.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-4-oxopentanamide
PubChem CID148645996
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-ethyl-2-methylsulfanyl-4-oxopentanamide
SMILESCCNC(=O)C(CC(C)=O)SC
InChIInChI=1S/C8H15NO2S/c1-4-9-8(11)7(12-3)5-6(2)10/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeyNKYPACMMVAOYGA-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-4-oxopentanamide?
The IUPAC name of N-ethyl-2-methylsulfanyl-4-oxopentanamide (CID 148645996) is N-ethyl-2-methylsulfanyl-4-oxopentanamide.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-4-oxopentanamide?
The canonical SMILES for N-ethyl-2-methylsulfanyl-4-oxopentanamide is CCNC(=O)C(CC(C)=O)SC.
What is the InChIKey of N-ethyl-2-methylsulfanyl-4-oxopentanamide?
The InChIKey is NKYPACMMVAOYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-9-8(11)7(12-3)5-6(2)10/h7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-ethyl-2-methylsulfanyl-4-oxopentanamide?
N-ethyl-2-methylsulfanyl-4-oxopentanamide has a molecular weight of 189.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-4-oxopentanamide is sourced from PubChem (CID 148645996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).