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

C11H24N2O5S2 — CID 59928256

IUPACN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
SMILESCC(CS(C)=O)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O5S2/c1-8(7-19(4)16)11(15)12-9(2)10(14)6-13(3)20(5,17)18/h8-10,14H,6-7H2,1-5H3,(H,12,15)/t8?,9-,10?,19?/m0/s1
InChIKeyQBOHCFPJZQEDRH-AJHIQZROSA-N
MW328.46 g/mol
LogP-1.24
Rot. Bonds8

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

N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide (PubChem CID 59928256) has the molecular formula C11H24N2O5S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
PubChem CID59928256
Molecular FormulaC11H24N2O5S2
Molecular Weight328.46 g/mol
Exact Mass328.11
IUPAC NameN-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
SMILESCC(CS(C)=O)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O5S2/c1-8(7-19(4)16)11(15)12-9(2)10(14)6-13(3)20(5,17)18/h8-10,14H,6-7H2,1-5H3,(H,12,15)/t8?,9-,10?,19?/m0/s1
InChIKeyQBOHCFPJZQEDRH-AJHIQZROSA-N
XLogP-1.24
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methyl-3-methylsulfinylpropanamide?
The IUPAC name of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide (CID 59928256) is N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide is CC(CS(C)=O)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-methyl-3-methylsulfinylpropanamide?
The InChIKey is QBOHCFPJZQEDRH-AJHIQZROSA-N. The full InChI is InChI=1S/C11H24N2O5S2/c1-8(7-19(4)16)11(15)12-9(2)10(14)6-13(3)20(5,17)18/h8-10,14H,6-7H2,1-5H3,(H,12,15)/t8?,9-,10?,19?/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide?
N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide has a molecular weight of 328.46 g/mol, XLogP of -1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 59928256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).