3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine

C10H21NO2S — CID 59148137

IUPAC3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)CC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)7-9-5-6-11(8-9)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyGAVFGUXUHOLZRJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine

3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine (PubChem CID 59148137) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
PubChem CID59148137
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)CC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)7-9-5-6-11(8-9)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyGAVFGUXUHOLZRJ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
CID 88983075
2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
3-[2-(chloromethyl)-2-ethylbutyl]-1-methylsulfonylpiperidine
CID 79622675
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide
CID 84686765
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine (CID 59148137) is 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine is CC(C)(C)CC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
The InChIKey is GAVFGUXUHOLZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)7-9-5-6-11(8-9)14(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine?
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 59148137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).