2-amino-2-methylsulfinylbutanamide

C5H12N2O2S — CID 88664071

IUPAC2-amino-2-methylsulfinylbutanamide
SMILESCCC(N)(C(N)=O)S(C)=O
InChIInChI=1S/C5H12N2O2S/c1-3-5(7,4(6)8)10(2)9/h3,7H2,1-2H3,(H2,6,8)
InChIKeyGCTUXTTVZSZBFF-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.08
Rot. Bonds3

About 2-amino-2-methylsulfinylbutanamide

2-amino-2-methylsulfinylbutanamide (PubChem CID 88664071) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-amino-2-methylsulfinylbutanamide.

Molecular Properties

Compound Name2-amino-2-methylsulfinylbutanamide
PubChem CID88664071
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-amino-2-methylsulfinylbutanamide
SMILESCCC(N)(C(N)=O)S(C)=O
InChIInChI=1S/C5H12N2O2S/c1-3-5(7,4(6)8)10(2)9/h3,7H2,1-2H3,(H2,6,8)
InChIKeyGCTUXTTVZSZBFF-UHFFFAOYSA-N
XLogP-1.08
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylsulfinylbutanamide?
The IUPAC name of 2-amino-2-methylsulfinylbutanamide (CID 88664071) is 2-amino-2-methylsulfinylbutanamide.
What is the SMILES notation for 2-amino-2-methylsulfinylbutanamide?
The canonical SMILES for 2-amino-2-methylsulfinylbutanamide is CCC(N)(C(N)=O)S(C)=O.
What is the InChIKey of 2-amino-2-methylsulfinylbutanamide?
The InChIKey is GCTUXTTVZSZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-3-5(7,4(6)8)10(2)9/h3,7H2,1-2H3,(H2,6,8).
What are the key properties of 2-amino-2-methylsulfinylbutanamide?
2-amino-2-methylsulfinylbutanamide has a molecular weight of 164.23 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylsulfinylbutanamide is sourced from PubChem (CID 88664071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).