N-acetyl-2-amino-4-methylsulfanylbutanamide

C7H14N2O2S — CID 18329563

IUPACN-acetyl-2-amino-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)NC(C)=O
InChIInChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyOIRDKWJJMSJIEY-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.27
Rot. Bonds4

About N-acetyl-2-amino-4-methylsulfanylbutanamide

N-acetyl-2-amino-4-methylsulfanylbutanamide (PubChem CID 18329563) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-acetyl-2-amino-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-acetyl-2-amino-4-methylsulfanylbutanamide
PubChem CID18329563
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-acetyl-2-amino-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)NC(C)=O
InChIInChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyOIRDKWJJMSJIEY-UHFFFAOYSA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-amino-4-methylsulfanylbutanamide?
The IUPAC name of N-acetyl-2-amino-4-methylsulfanylbutanamide (CID 18329563) is N-acetyl-2-amino-4-methylsulfanylbutanamide.
What is the SMILES notation for N-acetyl-2-amino-4-methylsulfanylbutanamide?
The canonical SMILES for N-acetyl-2-amino-4-methylsulfanylbutanamide is CSCCC(N)C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-2-amino-4-methylsulfanylbutanamide?
The InChIKey is OIRDKWJJMSJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of N-acetyl-2-amino-4-methylsulfanylbutanamide?
N-acetyl-2-amino-4-methylsulfanylbutanamide has a molecular weight of 190.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-amino-4-methylsulfanylbutanamide is sourced from PubChem (CID 18329563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).