2-amino-N-methyl-4-methylsulfanylbutanamide

C6H14N2OS — CID 10034922

IUPAC2-amino-N-methyl-4-methylsulfanylbutanamide
SMILESCNC(=O)C(N)CCSC
InChIInChI=1S/C6H14N2OS/c1-8-6(9)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyIRZOJKYRJZTMOW-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.19
Rot. Bonds4

About 2-amino-N-methyl-4-methylsulfanylbutanamide

2-amino-N-methyl-4-methylsulfanylbutanamide (PubChem CID 10034922) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfanylbutanamide
PubChem CID10034922
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-amino-N-methyl-4-methylsulfanylbutanamide
SMILESCNC(=O)C(N)CCSC
InChIInChI=1S/C6H14N2OS/c1-8-6(9)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyIRZOJKYRJZTMOW-UHFFFAOYSA-N
XLogP-0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfanylbutanamide (CID 10034922) is 2-amino-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfanylbutanamide is CNC(=O)C(N)CCSC.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is IRZOJKYRJZTMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8-6(9)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-N-methyl-4-methylsulfanylbutanamide?
2-amino-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 162.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 10034922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).