1-(3-ethoxyphenyl)sulfonylpyrrolidine

C12H17NO3S — CID 141152893

IUPAC1-(3-ethoxyphenyl)sulfonylpyrrolidine
SMILESCCOc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H17NO3S/c1-2-16-11-6-5-7-12(10-11)17(14,15)13-8-3-4-9-13/h5-7,10H,2-4,8-9H2,1H3
InChIKeyNMMSEYMTHIBXEJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.87
Rot. Bonds4

About 1-(3-ethoxyphenyl)sulfonylpyrrolidine

1-(3-ethoxyphenyl)sulfonylpyrrolidine (PubChem CID 141152893) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)sulfonylpyrrolidine
PubChem CID141152893
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-(3-ethoxyphenyl)sulfonylpyrrolidine
SMILESCCOc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H17NO3S/c1-2-16-11-6-5-7-12(10-11)17(14,15)13-8-3-4-9-13/h5-7,10H,2-4,8-9H2,1H3
InChIKeyNMMSEYMTHIBXEJ-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 120999396
2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 166179095
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800
2-(4-ethoxyphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699653
7-(3-ethoxyphenyl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 166179045
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
1-[3-(phenoxymethyl)phenyl]sulfonylazepane
CID 71691343
1-(3-propylphenyl)sulfonylpyrrolidine
CID 142264878
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
CID 30582105
1-(3-tert-butyl-4-ethoxyphenyl)sulfonylpyrrolidine
CID 9266602

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-ethoxyphenyl)sulfonylpyrrolidine (CID 141152893) is 1-(3-ethoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-ethoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-ethoxyphenyl)sulfonylpyrrolidine is CCOc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)sulfonylpyrrolidine?
The InChIKey is NMMSEYMTHIBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-16-11-6-5-7-12(10-11)17(14,15)13-8-3-4-9-13/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)sulfonylpyrrolidine?
1-(3-ethoxyphenyl)sulfonylpyrrolidine has a molecular weight of 255.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 141152893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).