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

C10H22N2O4S — CID 20664869

IUPACN-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(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)
InChIKeyXLSBUUBIZFCXPT-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.60
Rot. Bonds6

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

N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide (PubChem CID 20664869) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
PubChem CID20664869
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(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)
InChIKeyXLSBUUBIZFCXPT-UHFFFAOYSA-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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Related Compounds

CID 18731968
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CID 20644295
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CID 21335395
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CID 21335413
CID 21335413
CID 53645315
CID 53645315
CID 53695840
CID 53695840
CID 53695841
CID 53695841
CID 53765652
CID 53765652
CID 53833288
CID 53833288
CID 53869801
CID 53869801
CID 53919790
CID 53919790
CID 53967254
CID 53967254

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide (CID 20664869) is N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
The InChIKey is XLSBUUBIZFCXPT-UHFFFAOYSA-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).
What are the key properties of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide?
N-[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-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 20664869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).