1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine

C8H13NS — CID 130293284

IUPAC1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
SMILESC=C1CC(SC)C(=C)N1C
InChIInChI=1S/C8H13NS/c1-6-5-8(10-4)7(2)9(6)3/h8H,1-2,5H2,3-4H3
InChIKeyYCBRUHZXDYGMQD-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.08
Rot. Bonds1

About 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine

1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine (PubChem CID 130293284) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
PubChem CID130293284
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
SMILESC=C1CC(SC)C(=C)N1C
InChIInChI=1S/C8H13NS/c1-6-5-8(10-4)7(2)9(6)3/h8H,1-2,5H2,3-4H3
InChIKeyYCBRUHZXDYGMQD-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine (CID 130293284) is 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine is C=C1CC(SC)C(=C)N1C.
What is the InChIKey of 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine?
The InChIKey is YCBRUHZXDYGMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-5-8(10-4)7(2)9(6)3/h8H,1-2,5H2,3-4H3.
What are the key properties of 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine?
1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine has a molecular weight of 155.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 130293284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).