1-methyl-5-methylsulfanyl-2,3-dihydropyrrole

C6H11NS — CID 11286471

IUPAC1-methyl-5-methylsulfanyl-2,3-dihydropyrrole
SMILESCSC1=CCCN1C
InChIInChI=1S/C6H11NS/c1-7-5-3-4-6(7)8-2/h4H,3,5H2,1-2H3
InChIKeyVLGBMWQEAJHBQW-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.53
Rot. Bonds1

About 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole

1-methyl-5-methylsulfanyl-2,3-dihydropyrrole (PubChem CID 11286471) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-5-methylsulfanyl-2,3-dihydropyrrole
PubChem CID11286471
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-methyl-5-methylsulfanyl-2,3-dihydropyrrole
SMILESCSC1=CCCN1C
InChIInChI=1S/C6H11NS/c1-7-5-3-4-6(7)8-2/h4H,3,5H2,1-2H3
InChIKeyVLGBMWQEAJHBQW-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole (CID 11286471) is 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole is CSC1=CCCN1C.
What is the InChIKey of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole?
The InChIKey is VLGBMWQEAJHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-7-5-3-4-6(7)8-2/h4H,3,5H2,1-2H3.
What are the key properties of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole?
1-methyl-5-methylsulfanyl-2,3-dihydropyrrole has a molecular weight of 129.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole is sourced from PubChem (CID 11286471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).