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

C12H26N2O4S — CID 54102016

IUPACN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O4S/c1-8(2)9(3)12(16)13-10(4)11(15)7-14(5)19(6,17)18/h8-11,15H,7H2,1-6H3,(H,13,16)/t9?,10-,11?/m0/s1
InChIKeyNBDMKDRANWCKLG-YVNMAJEFSA-N
MW294.42 g/mol
LogP0.04
Rot. Bonds7

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

N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide (PubChem CID 54102016) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide
PubChem CID54102016
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O4S/c1-8(2)9(3)12(16)13-10(4)11(15)7-14(5)19(6,17)18/h8-11,15H,7H2,1-6H3,(H,13,16)/t9?,10-,11?/m0/s1
InChIKeyNBDMKDRANWCKLG-YVNMAJEFSA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.04
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]-2,3-dimethylbutanamide?
The IUPAC name of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide (CID 54102016) is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide is CC(C)C(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]-2,3-dimethylbutanamide?
The InChIKey is NBDMKDRANWCKLG-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-8(2)9(3)12(16)13-10(4)11(15)7-14(5)19(6,17)18/h8-11,15H,7H2,1-6H3,(H,13,16)/t9?,10-,11?/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide?
N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2,3-dimethylbutanamide has a molecular weight of 294.42 g/mol, XLogP of 0.04, 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]-2,3-dimethylbutanamide is sourced from PubChem (CID 54102016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).