N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide

C12H25NO2S — CID 58573146

IUPACN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide
SMILESCC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-6-10(12(2,3)4)9-13(5)16(14,15)11-7-8-11/h10-11H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyGOPZDTVACGLLEC-JTQLQIEISA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds5

About N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide

N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide (PubChem CID 58573146) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide
PubChem CID58573146
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide
SMILESCC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-6-10(12(2,3)4)9-13(5)16(14,15)11-7-8-11/h10-11H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyGOPZDTVACGLLEC-JTQLQIEISA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide (CID 58573146) is N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide is CC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide?
The InChIKey is GOPZDTVACGLLEC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO2S/c1-6-10(12(2,3)4)9-13(5)16(14,15)11-7-8-11/h10-11H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide?
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 58573146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).