2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide

C11H21NO3S — CID 136539129

IUPAC2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
SMILESCC1(C)C(CNC(=O)CS(C)(=O)=O)C1(C)C
InChIInChI=1S/C11H21NO3S/c1-10(2)8(11(10,3)4)6-12-9(13)7-16(5,14)15/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyJJONXAOAQOSKEF-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.83
Rot. Bonds4

About 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide

2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide (PubChem CID 136539129) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
PubChem CID136539129
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
SMILESCC1(C)C(CNC(=O)CS(C)(=O)=O)C1(C)C
InChIInChI=1S/C11H21NO3S/c1-10(2)8(11(10,3)4)6-12-9(13)7-16(5,14)15/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyJJONXAOAQOSKEF-UHFFFAOYSA-N
XLogP0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide (CID 136539129) is 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide is CC1(C)C(CNC(=O)CS(C)(=O)=O)C1(C)C.
What is the InChIKey of 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide?
The InChIKey is JJONXAOAQOSKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10(2)8(11(10,3)4)6-12-9(13)7-16(5,14)15/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide?
2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide has a molecular weight of 247.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 136539129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).