(2R)-3-benzylsulfonyl-2-methylpropanamide

C11H15NO3S — CID 3246651

IUPAC(2R)-3-benzylsulfonyl-2-methylpropanamide
SMILESC[C@@H](CS(=O)(=O)Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NO3S/c1-9(11(12)13)7-16(14,15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13)/t9-/m0/s1
InChIKeyGBGQJMVOIZIQCF-VIFPVBQESA-N
MW241.31 g/mol
LogP0.72
Rot. Bonds5

About (2R)-3-benzylsulfonyl-2-methylpropanamide

(2R)-3-benzylsulfonyl-2-methylpropanamide (PubChem CID 3246651) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-3-benzylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-benzylsulfonyl-2-methylpropanamide
PubChem CID3246651
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2R)-3-benzylsulfonyl-2-methylpropanamide
SMILESC[C@@H](CS(=O)(=O)Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NO3S/c1-9(11(12)13)7-16(14,15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13)/t9-/m0/s1
InChIKeyGBGQJMVOIZIQCF-VIFPVBQESA-N
XLogP0.72
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzylsulfonyl-2-methylpropanamide?
The IUPAC name of (2R)-3-benzylsulfonyl-2-methylpropanamide (CID 3246651) is (2R)-3-benzylsulfonyl-2-methylpropanamide.
What is the SMILES notation for (2R)-3-benzylsulfonyl-2-methylpropanamide?
The canonical SMILES for (2R)-3-benzylsulfonyl-2-methylpropanamide is C[C@@H](CS(=O)(=O)Cc1ccccc1)C(N)=O.
What is the InChIKey of (2R)-3-benzylsulfonyl-2-methylpropanamide?
The InChIKey is GBGQJMVOIZIQCF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9(11(12)13)7-16(14,15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of (2R)-3-benzylsulfonyl-2-methylpropanamide?
(2R)-3-benzylsulfonyl-2-methylpropanamide has a molecular weight of 241.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 3246651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).