(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine

C8H17NO2S — CID 140533240

IUPAC(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)8-5-4-6-9(8)12(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyTWLFCDZZJNOKTM-MRVPVSSYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds2

About (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine

(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 140533240) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
PubChem CID140533240
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)8-5-4-6-9(8)12(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyTWLFCDZZJNOKTM-MRVPVSSYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
CID 95358786
(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
CID 96602898
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
(3S)-3-ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 144443407
(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
CID 176666115
1-(Difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
CID 176666200
(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine
CID 176666250
2-Ethyl-1-(methylsulfonyl)pyrrolidine
CID 13430732
1-Butylsulfonyl-2-propan-2-ylpyrrolidine
CID 110728284
(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
CID 155936753

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine (CID 140533240) is (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine is CC(C)[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is TWLFCDZZJNOKTM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)8-5-4-6-9(8)12(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine?
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 140533240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).