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

C7H11NO2S — CID 141268688

IUPAC2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole
SMILESO=S(=O)(C1CC1)C1CC=CN1
InChIInChI=1S/C7H11NO2S/c9-11(10,6-3-4-6)7-2-1-5-8-7/h1,5-8H,2-4H2
InChIKeyTYOMASMFEOUVOF-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.40
Rot. Bonds2

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

2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole (PubChem CID 141268688) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole
PubChem CID141268688
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole
SMILESO=S(=O)(C1CC1)C1CC=CN1
InChIInChI=1S/C7H11NO2S/c9-11(10,6-3-4-6)7-2-1-5-8-7/h1,5-8H,2-4H2
InChIKeyTYOMASMFEOUVOF-UHFFFAOYSA-N
XLogP0.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-methylsulfonylbut-3-en-1-amine
CID 22082531
2-cyclopentylsulfonyl-2,3-dihydro-1H-pyrrole
CID 141268686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole (CID 141268688) is 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole is O=S(=O)(C1CC1)C1CC=CN1.
What is the InChIKey of 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole?
The InChIKey is TYOMASMFEOUVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-11(10,6-3-4-6)7-2-1-5-8-7/h1,5-8H,2-4H2.
What are the key properties of 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole?
2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole has a molecular weight of 173.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141268688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).