1-methyl-3-naphthalen-2-ylsulfinylpyrrole

C15H13NOS — CID 154708756

IUPAC1-methyl-3-naphthalen-2-ylsulfinylpyrrole
SMILESCn1ccc(S(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C15H13NOS/c1-16-9-8-15(11-16)18(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKeyVSVSFJFJELAWBE-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.35
Rot. Bonds2

About 1-methyl-3-naphthalen-2-ylsulfinylpyrrole

1-methyl-3-naphthalen-2-ylsulfinylpyrrole (PubChem CID 154708756) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-2-ylsulfinylpyrrole.

Molecular Properties

Compound Name1-methyl-3-naphthalen-2-ylsulfinylpyrrole
PubChem CID154708756
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-methyl-3-naphthalen-2-ylsulfinylpyrrole
SMILESCn1ccc(S(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C15H13NOS/c1-16-9-8-15(11-16)18(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKeyVSVSFJFJELAWBE-UHFFFAOYSA-N
XLogP3.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-2-ylsulfinylpyrrole?
The IUPAC name of 1-methyl-3-naphthalen-2-ylsulfinylpyrrole (CID 154708756) is 1-methyl-3-naphthalen-2-ylsulfinylpyrrole.
What is the SMILES notation for 1-methyl-3-naphthalen-2-ylsulfinylpyrrole?
The canonical SMILES for 1-methyl-3-naphthalen-2-ylsulfinylpyrrole is Cn1ccc(S(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 1-methyl-3-naphthalen-2-ylsulfinylpyrrole?
The InChIKey is VSVSFJFJELAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-16-9-8-15(11-16)18(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3.
What are the key properties of 1-methyl-3-naphthalen-2-ylsulfinylpyrrole?
1-methyl-3-naphthalen-2-ylsulfinylpyrrole has a molecular weight of 255.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-2-ylsulfinylpyrrole is sourced from PubChem (CID 154708756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).