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

C8H17NO4S — CID 65109700

IUPACN-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCC(C)(O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,11)6-9-7(10)4-5-14(3,12)13/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyXGZCOMHNBFAKKV-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.69
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide (PubChem CID 65109700) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
PubChem CID65109700
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCC(C)(O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,11)6-9-7(10)4-5-14(3,12)13/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyXGZCOMHNBFAKKV-UHFFFAOYSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide (CID 65109700) is N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide is CC(C)(O)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The InChIKey is XGZCOMHNBFAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,11)6-9-7(10)4-5-14(3,12)13/h11H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide has a molecular weight of 223.29 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 65109700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).