1-ethylsulfonyl-2,2-dimethylpyrrolidine

C8H17NO2S — CID 63222055

IUPAC1-ethylsulfonyl-2,2-dimethylpyrrolidine
SMILESCCS(=O)(=O)N1CCCC1(C)C
InChIInChI=1S/C8H17NO2S/c1-4-12(10,11)9-7-5-6-8(9,2)3/h4-7H2,1-3H3
InChIKeyZNHWDKIDKAEKQW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds2

About 1-ethylsulfonyl-2,2-dimethylpyrrolidine

1-ethylsulfonyl-2,2-dimethylpyrrolidine (PubChem CID 63222055) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-ethylsulfonyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-ethylsulfonyl-2,2-dimethylpyrrolidine
PubChem CID63222055
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-ethylsulfonyl-2,2-dimethylpyrrolidine
SMILESCCS(=O)(=O)N1CCCC1(C)C
InChIInChI=1S/C8H17NO2S/c1-4-12(10,11)9-7-5-6-8(9,2)3/h4-7H2,1-3H3
InChIKeyZNHWDKIDKAEKQW-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-ethylsulfonyl-2,2-dimethylpyrrolidine (CID 63222055) is 1-ethylsulfonyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-ethylsulfonyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-ethylsulfonyl-2,2-dimethylpyrrolidine is CCS(=O)(=O)N1CCCC1(C)C.
What is the InChIKey of 1-ethylsulfonyl-2,2-dimethylpyrrolidine?
The InChIKey is ZNHWDKIDKAEKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-12(10,11)9-7-5-6-8(9,2)3/h4-7H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-2,2-dimethylpyrrolidine?
1-ethylsulfonyl-2,2-dimethylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 63222055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).