2-(2-tert-butylsulfonylethyl)pyrrolidine

C10H21NO2S — CID 84685127

IUPAC2-(2-tert-butylsulfonylethyl)pyrrolidine
SMILESCC(C)(C)S(=O)(=O)CCC1CCCN1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)14(12,13)8-6-9-5-4-7-11-9/h9,11H,4-8H2,1-3H3
InChIKeyRCUAWKBHEUXNEQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds3

About 2-(2-tert-butylsulfonylethyl)pyrrolidine

2-(2-tert-butylsulfonylethyl)pyrrolidine (PubChem CID 84685127) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)pyrrolidine
PubChem CID84685127
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(2-tert-butylsulfonylethyl)pyrrolidine
SMILESCC(C)(C)S(=O)(=O)CCC1CCCN1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)14(12,13)8-6-9-5-4-7-11-9/h9,11H,4-8H2,1-3H3
InChIKeyRCUAWKBHEUXNEQ-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106728112
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
CID 106727944
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 55009152
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
CID 102419936

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)pyrrolidine?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)pyrrolidine (CID 84685127) is 2-(2-tert-butylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)pyrrolidine?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)pyrrolidine is CC(C)(C)S(=O)(=O)CCC1CCCN1.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)pyrrolidine?
The InChIKey is RCUAWKBHEUXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)14(12,13)8-6-9-5-4-7-11-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfonylethyl)pyrrolidine?
2-(2-tert-butylsulfonylethyl)pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 84685127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).