1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine

C17H21NO2S — CID 10542485

IUPAC1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine
SMILESCC(C)c1c(S(=O)(=O)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C17H21NO2S/c1-13(2)17-15-8-4-3-7-14(15)9-10-16(17)21(19,20)18-11-5-6-12-18/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyKFGFSBSGHPZNFU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.75
Rot. Bonds3

About 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine

1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine (PubChem CID 10542485) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine
PubChem CID10542485
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine
SMILESCC(C)c1c(S(=O)(=O)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C17H21NO2S/c1-13(2)17-15-8-4-3-7-14(15)9-10-16(17)21(19,20)18-11-5-6-12-18/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyKFGFSBSGHPZNFU-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine (CID 10542485) is 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine is CC(C)c1c(S(=O)(=O)N2CCCC2)ccc2ccccc12.
What is the InChIKey of 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine?
The InChIKey is KFGFSBSGHPZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(2)17-15-8-4-3-7-14(15)9-10-16(17)21(19,20)18-11-5-6-12-18/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine?
1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine has a molecular weight of 303.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 10542485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).