1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine

C15H23NO3S — CID 935087

IUPAC1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23NO3S/c1-15(2,3)12-7-8-13(19-4)14(11-12)20(17,18)16-9-5-6-10-16/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyWSSXDBNDSFIRCD-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine

1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine (PubChem CID 935087) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
PubChem CID935087
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23NO3S/c1-15(2,3)12-7-8-13(19-4)14(11-12)20(17,18)16-9-5-6-10-16/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyWSSXDBNDSFIRCD-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 849991
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CID 6457843
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 16644832
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine (CID 935087) is 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine is COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine?
The InChIKey is WSSXDBNDSFIRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(2,3)12-7-8-13(19-4)14(11-12)20(17,18)16-9-5-6-10-16/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine?
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine has a molecular weight of 297.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 935087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).