N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide

C9H19NO4S — CID 65031922

IUPACN-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(CO)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-7(6-11)5-10-8(12)9(2,3)15(4,13)14/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyKNXXONXRJBZCGO-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.45
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide

N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 65031922) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID65031922
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(CO)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-7(6-11)5-10-8(12)9(2,3)15(4,13)14/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyKNXXONXRJBZCGO-UHFFFAOYSA-N
XLogP-0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide
CID 104857166
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 104862856
N-ethyl-3-ethylsulfonyl-3-hydroxypropanamide
CID 53833505
N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 61342786
3-Hydroxy-2,2-dimethylpropyl [3-(acetylamino)propyl]sulfonate
CID 86629062
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
CID 156532549
ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen
CID 156791270
N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide
CID 173454971
N-ethyl-3-(2-hydroxyethylsulfonyl)propanamide
CID 173454972
N-(1-hydroxypropyl)-2-methylsulfonylacetamide
CID 173504674
2-[2-(2-Methylpropylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 24705759
2-[1-(3-Methoxypropylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117057

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide (CID 65031922) is N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide is CC(CO)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is KNXXONXRJBZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(6-11)5-10-8(12)9(2,3)15(4,13)14/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 65031922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).