4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine

C11H16N2OS — CID 10242740

IUPAC4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
SMILESCOc1ccc(CSC2CNNC2)cc1
InChIInChI=1S/C11H16N2OS/c1-14-10-4-2-9(3-5-10)8-15-11-6-12-13-7-11/h2-5,11-13H,6-8H2,1H3
InChIKeyFNRSYCFKIRWFNT-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.40
Rot. Bonds4

About 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine

4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine (PubChem CID 10242740) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
PubChem CID10242740
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
SMILESCOc1ccc(CSC2CNNC2)cc1
InChIInChI=1S/C11H16N2OS/c1-14-10-4-2-9(3-5-10)8-15-11-6-12-13-7-11/h2-5,11-13H,6-8H2,1H3
InChIKeyFNRSYCFKIRWFNT-UHFFFAOYSA-N
XLogP1.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinan-2-one
CID 13332723
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinane-2-thione
CID 54089668
5-[(4-methoxyphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 154447826
3-[(4-methoxyphenyl)methylsulfanyl]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674287
(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide;hydrochloride
CID 67585336
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
CID 66289089
5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 54490200
5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 54570242
dimethyl sulfate;5-[(4-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-1,3-diazinan-2-one
CID 158059866
3-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane
CID 19797265
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-amine
CID 15077387

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine (CID 10242740) is 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine is COc1ccc(CSC2CNNC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine?
The InChIKey is FNRSYCFKIRWFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-14-10-4-2-9(3-5-10)8-15-11-6-12-13-7-11/h2-5,11-13H,6-8H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine?
4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine has a molecular weight of 224.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine is sourced from PubChem (CID 10242740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).