1-butylsulfonyl-2-propan-2-ylpyrrolidine

C11H23NO2S — CID 110728284

IUPAC1-butylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCCCCS(=O)(=O)N1CCCC1C(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
InChIKeySAQIGTIDEGCTHI-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds5

About 1-butylsulfonyl-2-propan-2-ylpyrrolidine

1-butylsulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 110728284) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-butylsulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-butylsulfonyl-2-propan-2-ylpyrrolidine
PubChem CID110728284
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-butylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCCCCS(=O)(=O)N1CCCC1C(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
InChIKeySAQIGTIDEGCTHI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-butylsulfonyl-2-propan-2-ylpyrrolidine (CID 110728284) is 1-butylsulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-butylsulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-butylsulfonyl-2-propan-2-ylpyrrolidine is CCCCS(=O)(=O)N1CCCC1C(C)C.
What is the InChIKey of 1-butylsulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is SAQIGTIDEGCTHI-UHFFFAOYSA-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.
What are the key properties of 1-butylsulfonyl-2-propan-2-ylpyrrolidine?
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 1-butylsulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 110728284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).