2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide

C9H18N2O2S — CID 5245532

IUPAC2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide
SMILESCSCCC(NC(C)=O)C(=O)N(C)C
InChIInChI=1S/C9H18N2O2S/c1-7(12)10-8(5-6-14-4)9(13)11(2)3/h8H,5-6H2,1-4H3,(H,10,12)
InChIKeyFHQIKDAFWDCWFW-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.33
Rot. Bonds5

About 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide

2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide (PubChem CID 5245532) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide
PubChem CID5245532
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide
SMILESCSCCC(NC(C)=O)C(=O)N(C)C
InChIInChI=1S/C9H18N2O2S/c1-7(12)10-8(5-6-14-4)9(13)11(2)3/h8H,5-6H2,1-4H3,(H,10,12)
InChIKeyFHQIKDAFWDCWFW-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide (CID 5245532) is 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide is CSCCC(NC(C)=O)C(=O)N(C)C.
What is the InChIKey of 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide?
The InChIKey is FHQIKDAFWDCWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(12)10-8(5-6-14-4)9(13)11(2)3/h8H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide?
2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide has a molecular weight of 218.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 5245532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).