1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine

C20H26N2OS — CID 99933692

IUPAC1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
SMILESCOc1cccc([C@@H]2CCN2Cc2cc(CN3CCCC3)cs2)c1
InChIInChI=1S/C20H26N2OS/c1-23-18-6-4-5-17(12-18)20-7-10-22(20)14-19-11-16(15-24-19)13-21-8-2-3-9-21/h4-6,11-12,15,20H,2-3,7-10,13-14H2,1H3/t20-/m0/s1
InChIKeyJFRKWTFLSFEWMU-FQEVSTJZSA-N
MW342.51 g/mol
LogP4.30
Rot. Bonds6

About 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine

1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine (PubChem CID 99933692) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
PubChem CID99933692
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
SMILESCOc1cccc([C@@H]2CCN2Cc2cc(CN3CCCC3)cs2)c1
InChIInChI=1S/C20H26N2OS/c1-23-18-6-4-5-17(12-18)20-7-10-22(20)14-19-11-16(15-24-19)13-21-8-2-3-9-21/h4-6,11-12,15,20H,2-3,7-10,13-14H2,1H3/t20-/m0/s1
InChIKeyJFRKWTFLSFEWMU-FQEVSTJZSA-N
XLogP4.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine with MolForge

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Related Compounds

2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
3-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131933909
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77087919
2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 91829934
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
CID 56912082
4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 92626570

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine (CID 99933692) is 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine is COc1cccc([C@@H]2CCN2Cc2cc(CN3CCCC3)cs2)c1.
What is the InChIKey of 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine?
The InChIKey is JFRKWTFLSFEWMU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-23-18-6-4-5-17(12-18)20-7-10-22(20)14-19-11-16(15-24-19)13-21-8-2-3-9-21/h4-6,11-12,15,20H,2-3,7-10,13-14H2,1H3/t20-/m0/s1.
What are the key properties of 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine?
1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine has a molecular weight of 342.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 99933692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).