3-(4-ethylsulfanylphenyl)pyrrolidine

C12H17NS — CID 82492447

IUPAC3-(4-ethylsulfanylphenyl)pyrrolidine
SMILESCCSc1ccc(C2CCNC2)cc1
InChIInChI=1S/C12H17NS/c1-2-14-12-5-3-10(4-6-12)11-7-8-13-9-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyCIKXTLVSTADQNL-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.88
Rot. Bonds3

About 3-(4-ethylsulfanylphenyl)pyrrolidine

3-(4-ethylsulfanylphenyl)pyrrolidine (PubChem CID 82492447) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-(4-ethylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-ethylsulfanylphenyl)pyrrolidine
PubChem CID82492447
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3-(4-ethylsulfanylphenyl)pyrrolidine
SMILESCCSc1ccc(C2CCNC2)cc1
InChIInChI=1S/C12H17NS/c1-2-14-12-5-3-10(4-6-12)11-7-8-13-9-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyCIKXTLVSTADQNL-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376
(2R)-2-(4-ethylsulfanylphenyl)piperazine
CID 96847065
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
CID 171194743
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
CID 117336989
ethane;3-phenylpyrrolidine
CID 91032726
2-(4-pyrrolidin-3-ylphenyl)butanoic acid
CID 116988501
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951598
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfanylphenyl)pyrrolidine?
The IUPAC name of 3-(4-ethylsulfanylphenyl)pyrrolidine (CID 82492447) is 3-(4-ethylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-ethylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 3-(4-ethylsulfanylphenyl)pyrrolidine is CCSc1ccc(C2CCNC2)cc1.
What is the InChIKey of 3-(4-ethylsulfanylphenyl)pyrrolidine?
The InChIKey is CIKXTLVSTADQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-14-12-5-3-10(4-6-12)11-7-8-13-9-11/h3-6,11,13H,2,7-9H2,1H3.
What are the key properties of 3-(4-ethylsulfanylphenyl)pyrrolidine?
3-(4-ethylsulfanylphenyl)pyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 82492447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).