2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole

C11H18N2O2S — CID 61357186

IUPAC2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
SMILESCC(C)S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C11H18N2O2S/c1-9(2)16(14,15)13-8-4-6-11(13)10-5-3-7-12-10/h3,5,7,9,11-12H,4,6,8H2,1-2H3
InChIKeyVTOQGHBMMZGNHW-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.89
Rot. Bonds3

About 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole

2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole (PubChem CID 61357186) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
PubChem CID61357186
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
SMILESCC(C)S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C11H18N2O2S/c1-9(2)16(14,15)13-8-4-6-11(13)10-5-3-7-12-10/h3,5,7,9,11-12H,4,6,8H2,1-2H3
InChIKeyVTOQGHBMMZGNHW-UHFFFAOYSA-N
XLogP1.89
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
CID 96545725
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116191
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873150
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 60951906

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole?
The IUPAC name of 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole (CID 61357186) is 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole is CC(C)S(=O)(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole?
The InChIKey is VTOQGHBMMZGNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)16(14,15)13-8-4-6-11(13)10-5-3-7-12-10/h3,5,7,9,11-12H,4,6,8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole?
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole has a molecular weight of 242.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole is sourced from PubChem (CID 61357186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).