N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide

C8H18N2O4S — CID 20644295

IUPACN-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(CO)NC(=O)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-6(5-11)9-7(12)8(2,3)10-15(4,13)14/h6,10-11H,5H2,1-4H3,(H,9,12)
InChIKeyDSLJHYJVEVZZRG-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.19
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide

N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide (PubChem CID 20644295) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide
PubChem CID20644295
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(CO)NC(=O)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-6(5-11)9-7(12)8(2,3)10-15(4,13)14/h6,10-11H,5H2,1-4H3,(H,9,12)
InChIKeyDSLJHYJVEVZZRG-UHFFFAOYSA-N
XLogP-1.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide
CID 10913410
2-(dimethylamino)-N-[1-[[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 21335395
N-[1-[[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-2-(methylamino)propanamide
CID 21335413
2-(methanesulfonamido)-2-methyl-N-(1-oxopropan-2-yl)propanamide
CID 22943800
2-amino-N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide
CID 53765652
N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-2-(methylamino)propanamide
CID 54430021
N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
CID 54476138
N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methylpropanamide
CID 54476139
2-(dimethylamino)-N-[1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 54559842
2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 54559843
N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide
CID 54569863
CID 59930121
CID 59930121

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide (CID 20644295) is N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide is CC(CO)NC(=O)C(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide?
The InChIKey is DSLJHYJVEVZZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(5-11)9-7(12)8(2,3)10-15(4,13)14/h6,10-11H,5H2,1-4H3,(H,9,12).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide?
N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide has a molecular weight of 238.31 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(methanesulfonamido)-2-methylpropanamide is sourced from PubChem (CID 20644295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).