1-methyl-3-propan-2-ylsulfonylpyrrole

C8H13NO2S — CID 130377708

IUPAC1-methyl-3-propan-2-ylsulfonylpyrrole
SMILESCC(C)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C8H13NO2S/c1-7(2)12(10,11)8-4-5-9(3)6-8/h4-7H,1-3H3
InChIKeyFPFGAPVUDKZKTN-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.21
Rot. Bonds2

About 1-methyl-3-propan-2-ylsulfonylpyrrole

1-methyl-3-propan-2-ylsulfonylpyrrole (PubChem CID 130377708) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylsulfonylpyrrole.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylsulfonylpyrrole
PubChem CID130377708
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-methyl-3-propan-2-ylsulfonylpyrrole
SMILESCC(C)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C8H13NO2S/c1-7(2)12(10,11)8-4-5-9(3)6-8/h4-7H,1-3H3
InChIKeyFPFGAPVUDKZKTN-UHFFFAOYSA-N
XLogP1.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylsulfonylpyrrole?
The IUPAC name of 1-methyl-3-propan-2-ylsulfonylpyrrole (CID 130377708) is 1-methyl-3-propan-2-ylsulfonylpyrrole.
What is the SMILES notation for 1-methyl-3-propan-2-ylsulfonylpyrrole?
The canonical SMILES for 1-methyl-3-propan-2-ylsulfonylpyrrole is CC(C)S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of 1-methyl-3-propan-2-ylsulfonylpyrrole?
The InChIKey is FPFGAPVUDKZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-7(2)12(10,11)8-4-5-9(3)6-8/h4-7H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylsulfonylpyrrole?
1-methyl-3-propan-2-ylsulfonylpyrrole has a molecular weight of 187.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylsulfonylpyrrole is sourced from PubChem (CID 130377708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).