1-methylsulfonyl-3-propyl-2,3-dihydropyrrole

C8H15NO2S — CID 126545737

IUPAC1-methylsulfonyl-3-propyl-2,3-dihydropyrrole
SMILESCCCC1C=CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H15NO2S/c1-3-4-8-5-6-9(7-8)12(2,10)11/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVXOXILIHRQIWAI-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.19
Rot. Bonds3

About 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole

1-methylsulfonyl-3-propyl-2,3-dihydropyrrole (PubChem CID 126545737) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methylsulfonyl-3-propyl-2,3-dihydropyrrole
PubChem CID126545737
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-methylsulfonyl-3-propyl-2,3-dihydropyrrole
SMILESCCCC1C=CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H15NO2S/c1-3-4-8-5-6-9(7-8)12(2,10)11/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVXOXILIHRQIWAI-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole?
The IUPAC name of 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole (CID 126545737) is 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole?
The canonical SMILES for 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole is CCCC1C=CN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole?
The InChIKey is VXOXILIHRQIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-8-5-6-9(7-8)12(2,10)11/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole?
1-methylsulfonyl-3-propyl-2,3-dihydropyrrole has a molecular weight of 189.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-propyl-2,3-dihydropyrrole is sourced from PubChem (CID 126545737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).