3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine

C12H15NS — CID 153382579

IUPAC3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine
SMILESC=C1CCN(Sc2cccc(C)c2)C1
InChIInChI=1S/C12H15NS/c1-10-4-3-5-12(8-10)14-13-7-6-11(2)9-13/h3-5,8H,2,6-7,9H2,1H3
InChIKeyXYTUVJFJTNYHIN-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.26
Rot. Bonds2

About 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine

3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine (PubChem CID 153382579) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine
PubChem CID153382579
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine
SMILESC=C1CCN(Sc2cccc(C)c2)C1
InChIInChI=1S/C12H15NS/c1-10-4-3-5-12(8-10)14-13-7-6-11(2)9-13/h3-5,8H,2,6-7,9H2,1H3
InChIKeyXYTUVJFJTNYHIN-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)sulfanylpyrrolidin-3-ol
CID 145382349
1-methyl-3-(3-methylidenecyclohexyl)sulfanylbenzene
CID 142055381
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
1-[3-(4-methylphenyl)sulfonylphenyl]sulfanylpyrrolidine
CID 145356713
7-(aminomethylidene)-6-(4-fluorophenyl)imino-2-(3-methylphenyl)sulfanyl-1,3,4,8-tetrahydroisoquinoline-8a-carbaldehyde
CID 174034142
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
trimethyl-(3-methylphenyl)sulfanylsilane
CID 12755162
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine?
The IUPAC name of 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine (CID 153382579) is 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine.
What is the SMILES notation for 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine?
The canonical SMILES for 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine is C=C1CCN(Sc2cccc(C)c2)C1.
What is the InChIKey of 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine?
The InChIKey is XYTUVJFJTNYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-10-4-3-5-12(8-10)14-13-7-6-11(2)9-13/h3-5,8H,2,6-7,9H2,1H3.
What are the key properties of 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine?
3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine has a molecular weight of 205.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(3-methylphenyl)sulfanylpyrrolidine is sourced from PubChem (CID 153382579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).