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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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).