2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine

C10H21NO2S — CID 59172238

IUPAC2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)8-9-6-5-7-11(9)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyKYTXDRBRQNXTKX-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine

2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine (PubChem CID 59172238) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
PubChem CID59172238
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)8-9-6-5-7-11(9)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyKYTXDRBRQNXTKX-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine (CID 59172238) is 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine is CC(C)(C)CC1CCCN1S(C)(=O)=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
The InChIKey is KYTXDRBRQNXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)8-9-6-5-7-11(9)14(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 59172238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).