N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide

C8H17NO2S — CID 10442545

IUPACN-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
SMILESCCN(C)C(=O)C(O)CCSC
InChIInChI=1S/C8H17NO2S/c1-4-9(2)8(11)7(10)5-6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyDCEIKSFAAQJYFW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.58
Rot. Bonds5

About N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide

N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide (PubChem CID 10442545) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
PubChem CID10442545
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
SMILESCCN(C)C(=O)C(O)CCSC
InChIInChI=1S/C8H17NO2S/c1-4-9(2)8(11)7(10)5-6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyDCEIKSFAAQJYFW-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide (CID 10442545) is N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide is CCN(C)C(=O)C(O)CCSC.
What is the InChIKey of N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is DCEIKSFAAQJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-9(2)8(11)7(10)5-6-12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 191.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 10442545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).