2-methyl-2-propylsulfonylpropanamide

C7H15NO3S — CID 3031135

IUPAC2-methyl-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C7H15NO3S/c1-4-5-12(10,11)7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeyOOCPZQHHHNFGSH-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.08
Rot. Bonds4

About 2-methyl-2-propylsulfonylpropanamide

2-methyl-2-propylsulfonylpropanamide (PubChem CID 3031135) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methyl-2-propylsulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-2-propylsulfonylpropanamide
PubChem CID3031135
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-methyl-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C7H15NO3S/c1-4-5-12(10,11)7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeyOOCPZQHHHNFGSH-UHFFFAOYSA-N
XLogP0.08
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylsulfonylpropanamide?
The IUPAC name of 2-methyl-2-propylsulfonylpropanamide (CID 3031135) is 2-methyl-2-propylsulfonylpropanamide.
What is the SMILES notation for 2-methyl-2-propylsulfonylpropanamide?
The canonical SMILES for 2-methyl-2-propylsulfonylpropanamide is CCCS(=O)(=O)C(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-propylsulfonylpropanamide?
The InChIKey is OOCPZQHHHNFGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-4-5-12(10,11)7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9).
What are the key properties of 2-methyl-2-propylsulfonylpropanamide?
2-methyl-2-propylsulfonylpropanamide has a molecular weight of 193.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylsulfonylpropanamide is sourced from PubChem (CID 3031135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).