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

C11H24N2O4S — CID 54436541

IUPACN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-6-8(2)11(15)12-9(3)10(14)7-13(4)18(5,16)17/h8-10,14H,6-7H2,1-5H3,(H,12,15)/t8?,9-,10?/m0/s1
InChIKeyWLDHYKFKLTYWGL-KYHHOPLUSA-N
MW280.39 g/mol
LogP-0.21
Rot. Bonds7

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

N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide (PubChem CID 54436541) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide
PubChem CID54436541
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-6-8(2)11(15)12-9(3)10(14)7-13(4)18(5,16)17/h8-10,14H,6-7H2,1-5H3,(H,12,15)/t8?,9-,10?/m0/s1
InChIKeyWLDHYKFKLTYWGL-KYHHOPLUSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.21
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-methylbutanamide?
The IUPAC name of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide (CID 54436541) is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide is CCC(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-methylbutanamide?
The InChIKey is WLDHYKFKLTYWGL-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-6-8(2)11(15)12-9(3)10(14)7-13(4)18(5,16)17/h8-10,14H,6-7H2,1-5H3,(H,12,15)/t8?,9-,10?/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide?
N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylbutanamide has a molecular weight of 280.39 g/mol, XLogP of -0.21, 7 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-methylbutanamide is sourced from PubChem (CID 54436541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).