1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine

C11H23NO2S — CID 58745716

IUPAC1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1(C(C)C)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO2S/c1-9(2)11(10(3)4)6-7-12(8-11)15(5,13)14/h9-10H,6-8H2,1-5H3
InChIKeyRQULVNCRHNOKEG-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.95
Rot. Bonds3

About 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine

1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine (PubChem CID 58745716) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine
PubChem CID58745716
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1(C(C)C)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO2S/c1-9(2)11(10(3)4)6-7-12(8-11)15(5,13)14/h9-10H,6-8H2,1-5H3
InChIKeyRQULVNCRHNOKEG-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine (CID 58745716) is 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine is CC(C)C1(C(C)C)CCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine?
The InChIKey is RQULVNCRHNOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)11(10(3)4)6-7-12(8-11)15(5,13)14/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine?
1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58745716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).