(2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine

C22H29NO2S — CID 24900019

IUPAC(2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine
SMILESCC(C)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C22H29NO2S/c1-17(2)26(24,25)22-12-10-21(11-13-22)20-8-6-19(7-9-20)14-16-23-15-4-5-18(23)3/h6-13,17-18H,4-5,14-16H2,1-3H3/t18-/m1/s1
InChIKeyPBEGXDUDGVNPPT-GOSISDBHSA-N
MW371.55 g/mol
LogP4.56
Rot. Bonds6

About (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine

(2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine (PubChem CID 24900019) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine
PubChem CID24900019
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name(2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine
SMILESCC(C)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C22H29NO2S/c1-17(2)26(24,25)22-12-10-21(11-13-22)20-8-6-19(7-9-20)14-16-23-15-4-5-18(23)3/h6-13,17-18H,4-5,14-16H2,1-3H3/t18-/m1/s1
InChIKeyPBEGXDUDGVNPPT-GOSISDBHSA-N
XLogP4.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
The IUPAC name of (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine (CID 24900019) is (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine is CC(C)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1.
What is the InChIKey of (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
The InChIKey is PBEGXDUDGVNPPT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-17(2)26(24,25)22-12-10-21(11-13-22)20-8-6-19(7-9-20)14-16-23-15-4-5-18(23)3/h6-13,17-18H,4-5,14-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
(2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine has a molecular weight of 371.55 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[2-[4-(4-propan-2-ylsulfonylphenyl)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 24900019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).