3-methyl-1-phenylsulfanylpyrrolidine

C11H15NS — CID 170209492

IUPAC3-methyl-1-phenylsulfanylpyrrolidine
SMILESCC1CCN(Sc2ccccc2)C1
InChIInChI=1S/C11H15NS/c1-10-7-8-12(9-10)13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyBCZZCWFFJAOOFZ-UHFFFAOYSA-N
MW193.32 g/mol
LogP3.04
Rot. Bonds2

About 3-methyl-1-phenylsulfanylpyrrolidine

3-methyl-1-phenylsulfanylpyrrolidine (PubChem CID 170209492) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 3-methyl-1-phenylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-methyl-1-phenylsulfanylpyrrolidine
PubChem CID170209492
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name3-methyl-1-phenylsulfanylpyrrolidine
SMILESCC1CCN(Sc2ccccc2)C1
InChIInChI=1S/C11H15NS/c1-10-7-8-12(9-10)13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyBCZZCWFFJAOOFZ-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-phenylsulfanylpiperidine;4-propyloct-1-yne
CID 144807516
1-(3-methylphenyl)sulfanylpyrrolidin-3-ol
CID 145382349
2-[(3S)-1-(4-methylphenyl)sulfanylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
CID 89233429
4-(4-bromophenoxy)-1-phenylsulfanylpiperidine
CID 12645570
4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine
CID 88652674
ethane;(1-phenylsulfanylpiperidin-3-yl)methylurea
CID 143812148
4-methyl-1-[1-(4-propan-2-ylphenyl)sulfanylpiperidin-4-yl]piperidine
CID 146666970
3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide
CID 144534621
1-(4-bromophenyl)sulfanyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 146666952
3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine
CID 142422212
1-methyl-3-phenylsulfanylpiperidine
CID 142412320
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylsulfanylpyrrolidine?
The IUPAC name of 3-methyl-1-phenylsulfanylpyrrolidine (CID 170209492) is 3-methyl-1-phenylsulfanylpyrrolidine.
What is the SMILES notation for 3-methyl-1-phenylsulfanylpyrrolidine?
The canonical SMILES for 3-methyl-1-phenylsulfanylpyrrolidine is CC1CCN(Sc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-phenylsulfanylpyrrolidine?
The InChIKey is BCZZCWFFJAOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-10-7-8-12(9-10)13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 3-methyl-1-phenylsulfanylpyrrolidine?
3-methyl-1-phenylsulfanylpyrrolidine has a molecular weight of 193.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylsulfanylpyrrolidine is sourced from PubChem (CID 170209492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).