2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole

C9H15NO2S — CID 141268686

IUPAC2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole
SMILESO=S(=O)(C1CCCC1)C1CC=CN1
InChIInChI=1S/C9H15NO2S/c11-13(12,8-4-1-2-5-8)9-6-3-7-10-9/h3,7-10H,1-2,4-6H2
InChIKeyHGJXHMRGJQODQB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.18
Rot. Bonds2

About 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole

2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole (PubChem CID 141268686) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole
PubChem CID141268686
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole
SMILESO=S(=O)(C1CCCC1)C1CC=CN1
InChIInChI=1S/C9H15NO2S/c11-13(12,8-4-1-2-5-8)9-6-3-7-10-9/h3,7-10H,1-2,4-6H2
InChIKeyHGJXHMRGJQODQB-UHFFFAOYSA-N
XLogP1.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole
CID 141268688
2,3-dihydro-1H-pyrrole;2,3-dihydrothiophene 1-oxide
CID 144627231

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole (CID 141268686) is 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole is O=S(=O)(C1CCCC1)C1CC=CN1.
What is the InChIKey of 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole?
The InChIKey is HGJXHMRGJQODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-13(12,8-4-1-2-5-8)9-6-3-7-10-9/h3,7-10H,1-2,4-6H2.
What are the key properties of 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole?
2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole has a molecular weight of 201.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).