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

C12H23NO3S — CID 131910089

IUPAC3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
SMILESCC1(C)C(CNC(=O)CCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C12H23NO3S/c1-11(2)9(12(11,3)4)8-13-10(14)6-7-17(5,15)16/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyISXIWWKNBMLWAU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.22
Rot. Bonds5

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

3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide (PubChem CID 131910089) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
PubChem CID131910089
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
SMILESCC1(C)C(CNC(=O)CCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C12H23NO3S/c1-11(2)9(12(11,3)4)8-13-10(14)6-7-17(5,15)16/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyISXIWWKNBMLWAU-UHFFFAOYSA-N
XLogP1.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide (CID 131910089) is 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide is CC1(C)C(CNC(=O)CCS(C)(=O)=O)C1(C)C.
What is the InChIKey of 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
The InChIKey is ISXIWWKNBMLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-11(2)9(12(11,3)4)8-13-10(14)6-7-17(5,15)16/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide has a molecular weight of 261.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 131910089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).