2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole

C6H11NS — CID 21041401

IUPAC2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole
SMILESCSC1=NC(C)CC1
InChIInChI=1S/C6H11NS/c1-5-3-4-6(7-5)8-2/h5H,3-4H2,1-2H3
InChIKeyWUOSYADXTAVWPU-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole

2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole (PubChem CID 21041401) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole
PubChem CID21041401
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole
SMILESCSC1=NC(C)CC1
InChIInChI=1S/C6H11NS/c1-5-3-4-6(7-5)8-2/h5H,3-4H2,1-2H3
InChIKeyWUOSYADXTAVWPU-UHFFFAOYSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol
CID 11217329
5-methylsulfanyl-2-phenyl-3,4-dihydro-2H-pyrrole
CID 86171847
2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid
CID 155173329
6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
CID 167495379
2-(iodomethyl)-7-methylsulfanyl-3,4,5,6-tetrahydro-2H-azepine
CID 67851466
7-ethoxy-2-methyl-3,4,5,6-tetrahydro-2H-azepine
CID 45090927
2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine
CID 23383064
2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 102142891
2-(methoxymethyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine;trifluoromethanesulfonic acid
CID 171924939
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12778911
5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 132558513
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole (CID 21041401) is 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole is CSC1=NC(C)CC1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole?
The InChIKey is WUOSYADXTAVWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-3-4-6(7-5)8-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole?
2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole has a molecular weight of 129.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 21041401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).