2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

C19H27NO2S — CID 134999674

IUPAC2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C=C2CCCC2)c(C)c1
InChIInChI=1S/C19H27NO2S/c1-14-11-15(2)19(16(3)12-14)23(21,22)20-10-6-9-18(20)13-17-7-4-5-8-17/h11-13,18H,4-10H2,1-3H3
InChIKeyWXXNBDSSDVLDKV-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.27
Rot. Bonds3

About 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (PubChem CID 134999674) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
PubChem CID134999674
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C=C2CCCC2)c(C)c1
InChIInChI=1S/C19H27NO2S/c1-14-11-15(2)19(16(3)12-14)23(21,22)20-10-6-9-18(20)13-17-7-4-5-8-17/h11-13,18H,4-10H2,1-3H3
InChIKeyWXXNBDSSDVLDKV-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92893936
3,5-dimethyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 46366323
(E)-3-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]prop-2-enoic acid
CID 66754987
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222
3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894114
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
2-[methyl-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 119358851
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (CID 134999674) is 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is Cc1cc(C)c(S(=O)(=O)N2CCCC2C=C2CCCC2)c(C)c1.
What is the InChIKey of 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The InChIKey is WXXNBDSSDVLDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-14-11-15(2)19(16(3)12-14)23(21,22)20-10-6-9-18(20)13-17-7-4-5-8-17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine has a molecular weight of 333.50 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 134999674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).