2-amino-2-methylsulfonylbutanamide

C5H12N2O3S — CID 88663570

IUPAC2-amino-2-methylsulfonylbutanamide
SMILESCCC(N)(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-3-5(7,4(6)8)11(2,9)10/h3,7H2,1-2H3,(H2,6,8)
InChIKeyBIEXHKDNJQEQQX-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.42
Rot. Bonds3

About 2-amino-2-methylsulfonylbutanamide

2-amino-2-methylsulfonylbutanamide (PubChem CID 88663570) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-amino-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-2-methylsulfonylbutanamide
PubChem CID88663570
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-amino-2-methylsulfonylbutanamide
SMILESCCC(N)(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-3-5(7,4(6)8)11(2,9)10/h3,7H2,1-2H3,(H2,6,8)
InChIKeyBIEXHKDNJQEQQX-UHFFFAOYSA-N
XLogP-1.42
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylsulfonylbutanamide?
The IUPAC name of 2-amino-2-methylsulfonylbutanamide (CID 88663570) is 2-amino-2-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-2-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-2-methylsulfonylbutanamide is CCC(N)(C(N)=O)S(C)(=O)=O.
What is the InChIKey of 2-amino-2-methylsulfonylbutanamide?
The InChIKey is BIEXHKDNJQEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-3-5(7,4(6)8)11(2,9)10/h3,7H2,1-2H3,(H2,6,8).
What are the key properties of 2-amino-2-methylsulfonylbutanamide?
2-amino-2-methylsulfonylbutanamide has a molecular weight of 180.23 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylsulfonylbutanamide is sourced from PubChem (CID 88663570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).