5-methyl-2-methylsulfinyl-3H-pyrrole

C6H9NOS — CID 158268178

IUPAC5-methyl-2-methylsulfinyl-3H-pyrrole
SMILESCC1=CCC(S(C)=O)=N1
InChIInChI=1S/C6H9NOS/c1-5-3-4-6(7-5)9(2)8/h3H,4H2,1-2H3
InChIKeyUPMVJQOZYIIQPJ-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.07
Rot. Bonds

About 5-methyl-2-methylsulfinyl-3H-pyrrole

5-methyl-2-methylsulfinyl-3H-pyrrole (PubChem CID 158268178) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 5-methyl-2-methylsulfinyl-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-methylsulfinyl-3H-pyrrole
PubChem CID158268178
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name5-methyl-2-methylsulfinyl-3H-pyrrole
SMILESCC1=CCC(S(C)=O)=N1
InChIInChI=1S/C6H9NOS/c1-5-3-4-6(7-5)9(2)8/h3H,4H2,1-2H3
InChIKeyUPMVJQOZYIIQPJ-UHFFFAOYSA-N
XLogP1.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diethyl-1,3-thiazole 1-oxide
CID 141184571
5-tert-butyl-2-methylsulfinyl-3H-pyrrole
CID 157084403
5-tert-butyl-2-methylsulfonyl-3H-pyrrole
CID 157084404
2-methylsulfanyl-5-propan-2-yl-3H-pyrrole
CID 157191115
(5-tert-butyl-3H-pyrrol-2-yl)-methyl-methylidene-oxo-lambda6-sulfane
CID 157272708
methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-lambda4-sulfane
CID 158304487
methyl N-[(E)-pent-2-en-2-yl]butanimidothioate
CID 168972526

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfinyl-3H-pyrrole?
The IUPAC name of 5-methyl-2-methylsulfinyl-3H-pyrrole (CID 158268178) is 5-methyl-2-methylsulfinyl-3H-pyrrole.
What is the SMILES notation for 5-methyl-2-methylsulfinyl-3H-pyrrole?
The canonical SMILES for 5-methyl-2-methylsulfinyl-3H-pyrrole is CC1=CCC(S(C)=O)=N1.
What is the InChIKey of 5-methyl-2-methylsulfinyl-3H-pyrrole?
The InChIKey is UPMVJQOZYIIQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5-3-4-6(7-5)9(2)8/h3H,4H2,1-2H3.
What are the key properties of 5-methyl-2-methylsulfinyl-3H-pyrrole?
5-methyl-2-methylsulfinyl-3H-pyrrole has a molecular weight of 143.21 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfinyl-3H-pyrrole is sourced from PubChem (CID 158268178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).