2-methylsulfanyl-2,5-dihydro-1H-pyrrole

C5H9NS — CID 58653710

IUPAC2-methylsulfanyl-2,5-dihydro-1H-pyrrole
SMILESCSC1C=CCN1
InChIInChI=1S/C5H9NS/c1-7-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3
InChIKeyMMUXUGGQPWFICF-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.83
Rot. Bonds1

About 2-methylsulfanyl-2,5-dihydro-1H-pyrrole

2-methylsulfanyl-2,5-dihydro-1H-pyrrole (PubChem CID 58653710) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-methylsulfanyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-methylsulfanyl-2,5-dihydro-1H-pyrrole
PubChem CID58653710
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-methylsulfanyl-2,5-dihydro-1H-pyrrole
SMILESCSC1C=CCN1
InChIInChI=1S/C5H9NS/c1-7-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3
InChIKeyMMUXUGGQPWFICF-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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2-propylsulfanyl-2,5-dihydro-1H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-methylsulfanyl-2,5-dihydro-1H-pyrrole (CID 58653710) is 2-methylsulfanyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-methylsulfanyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-methylsulfanyl-2,5-dihydro-1H-pyrrole is CSC1C=CCN1.
What is the InChIKey of 2-methylsulfanyl-2,5-dihydro-1H-pyrrole?
The InChIKey is MMUXUGGQPWFICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-7-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methylsulfanyl-2,5-dihydro-1H-pyrrole?
2-methylsulfanyl-2,5-dihydro-1H-pyrrole has a molecular weight of 115.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 58653710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).