(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide

C6H14N2O3S — CID 90750255

IUPAC(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide
SMILESCC(C)[C@@](N)(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-4(2)6(8,5(7)9)12(3,10)11/h4H,8H2,1-3H3,(H2,7,9)/t6-/m0/s1
InChIKeyRYDYYUQOUYXEFZ-LURJTMIESA-N
MW194.26 g/mol
LogP-1.17
Rot. Bonds3

About (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide

(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide (PubChem CID 90750255) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide
PubChem CID90750255
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide
SMILESCC(C)[C@@](N)(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-4(2)6(8,5(7)9)12(3,10)11/h4H,8H2,1-3H3,(H2,7,9)/t6-/m0/s1
InChIKeyRYDYYUQOUYXEFZ-LURJTMIESA-N
XLogP-1.17
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide (CID 90750255) is (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide is CC(C)[C@@](N)(C(N)=O)S(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide?
The InChIKey is RYDYYUQOUYXEFZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-4(2)6(8,5(7)9)12(3,10)11/h4H,8H2,1-3H3,(H2,7,9)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide?
(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide has a molecular weight of 194.26 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90750255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).