N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide

C8H17NO5S — CID 104520531

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC(C)(CO)CO)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-6(15(3,13)14)7(12)9-8(2,4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChIKeyWBYREVBWXPGROO-UHFFFAOYSA-N
MW239.29 g/mol
LogP-1.72
Rot. Bonds5

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide (PubChem CID 104520531) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
PubChem CID104520531
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC(C)(CO)CO)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-6(15(3,13)14)7(12)9-8(2,4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChIKeyWBYREVBWXPGROO-UHFFFAOYSA-N
XLogP-1.72
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
CID 115776855
N-(1-bromo-3-methylpentan-3-yl)-2-methylsulfonylpropanamide
CID 106169039
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
CID 107033569
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
N-methyl-2-methylsulfonylpropanamide
CID 54261132
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586
3-hydroxy-3-methyl-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517700
N-(4-bromo-2,2-dimethylbutyl)-2-methylsulfonylpropanamide
CID 106143542
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide (CID 104520531) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide is CC(C(=O)NC(C)(CO)CO)S(C)(=O)=O.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide?
The InChIKey is WBYREVBWXPGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-6(15(3,13)14)7(12)9-8(2,4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide has a molecular weight of 239.29 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104520531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).