1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine

C14H20N2S — CID 66653518

IUPAC1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine
SMILESc1cc(SC2CNC2)ccc1CN1CCCC1
InChIInChI=1S/C14H20N2S/c1-2-8-16(7-1)11-12-3-5-13(6-4-12)17-14-9-15-10-14/h3-6,14-15H,1-2,7-11H2
InChIKeyJVSFYVCIDUQNNH-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.35
Rot. Bonds4

About 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine

1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine (PubChem CID 66653518) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine
PubChem CID66653518
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine
SMILESc1cc(SC2CNC2)ccc1CN1CCCC1
InChIInChI=1S/C14H20N2S/c1-2-8-16(7-1)11-12-3-5-13(6-4-12)17-14-9-15-10-14/h3-6,14-15H,1-2,7-11H2
InChIKeyJVSFYVCIDUQNNH-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine
CID 143703750
1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
CID 117374711
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906325
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
5-[[4-(1,5,8,13-tetrazabicyclo[11.2.2]heptadecan-5-ylmethyl)phenyl]methyl]-1,5,8,13-tetrazabicyclo[11.2.2]heptadecane
CID 158835050
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
CID 146064794
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 82264824
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine (CID 66653518) is 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine is c1cc(SC2CNC2)ccc1CN1CCCC1.
What is the InChIKey of 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine?
The InChIKey is JVSFYVCIDUQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-8-16(7-1)11-12-3-5-13(6-4-12)17-14-9-15-10-14/h3-6,14-15H,1-2,7-11H2.
What are the key properties of 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine?
1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine has a molecular weight of 248.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 66653518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).