N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide

C10H22N2O4S — CID 54476139

IUPACN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-7(2)10(14)11-8(3)9(13)6-12(4)17(5,15)16/h7-9,13H,6H2,1-5H3,(H,11,14)/t8-,9?/m0/s1
InChIKeyXLSBUUBIZFCXPT-IENPIDJESA-N
MW266.36 g/mol
LogP-0.60
Rot. Bonds6

About N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide

N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide (PubChem CID 54476139) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
PubChem CID54476139
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-7(2)10(14)11-8(3)9(13)6-12(4)17(5,15)16/h7-9,13H,6H2,1-5H3,(H,11,14)/t8-,9?/m0/s1
InChIKeyXLSBUUBIZFCXPT-IENPIDJESA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide (CID 54476139) is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
The InChIKey is XLSBUUBIZFCXPT-IENPIDJESA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-7(2)10(14)11-8(3)9(13)6-12(4)17(5,15)16/h7-9,13H,6H2,1-5H3,(H,11,14)/t8-,9?/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide has a molecular weight of 266.36 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 54476139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).