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

C11H23NO2S — CID 155936753

IUPAC(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCCCCS(=O)(=O)N1CCC[C@@H]1C(C)C
InChIInChI=1S/C11H23NO2S/c1-4-5-9-15(13,14)12-8-6-7-11(12)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeySAQIGTIDEGCTHI-LLVKDONJSA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds5

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

(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 155936753) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
PubChem CID155936753
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCCCCS(=O)(=O)N1CCC[C@@H]1C(C)C
InChIInChI=1S/C11H23NO2S/c1-4-5-9-15(13,14)12-8-6-7-11(12)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeySAQIGTIDEGCTHI-LLVKDONJSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
CID 52616
Isothiazolidine, 2-cyclohexyl-, 1,1-dioxide
CID 52612
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 140533240
(2S)-2-cyclohexyl-1-(3,3-dimethylbutylsulfonyl)pyrrolidine
CID 99807778
2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 171524222
N-butanesulfonyl-2-methylpyrrolidine
CID 13468221
1-Butylsulfonyl-2-propan-2-ylpyrrolidine
CID 110728284
2-(Fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
CID 130978811
1-(2-Methylsulfonylethyl)-3-propylpyrrolidine
CID 72114172
2-Hexyl-1,2-thiazolidine 1,1-dioxide
CID 23563333
N-(2-(N-Methyl-2-pyrrolidinyl)propyl) 2-propanesulfonamide
CID 54244115
(3S)-1-methylsulfonyl-3-propylpyrrolidine
CID 57000847

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine (CID 155936753) is (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine is CCCCS(=O)(=O)N1CCC[C@@H]1C(C)C.
What is the InChIKey of (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is SAQIGTIDEGCTHI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-5-9-15(13,14)12-8-6-7-11(12)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine?
(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 155936753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).