(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine

C14H19NOS — CID 178102485

IUPAC(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine
SMILESCOc1ccc2c(c1)C(C[C@H]1CCCN1)CS2
InChIInChI=1S/C14H19NOS/c1-16-12-4-5-14-13(8-12)10(9-17-14)7-11-3-2-6-15-11/h4-5,8,10-11,15H,2-3,6-7,9H2,1H3/t10?,11-/m1/s1
InChIKeyHSQVJHMLJYUCAT-RRKGBCIJSA-N
MW249.38 g/mol
LogP3.03
Rot. Bonds3

About (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine

(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine (PubChem CID 178102485) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine
PubChem CID178102485
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine
SMILESCOc1ccc2c(c1)C(C[C@H]1CCCN1)CS2
InChIInChI=1S/C14H19NOS/c1-16-12-4-5-14-13(8-12)10(9-17-14)7-11-3-2-6-15-11/h4-5,8,10-11,15H,2-3,6-7,9H2,1H3/t10?,11-/m1/s1
InChIKeyHSQVJHMLJYUCAT-RRKGBCIJSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102472
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202458
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2,2-dimethylpropanoic acid
CID 117202459
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
CID 79221195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine (CID 178102485) is (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine is COc1ccc2c(c1)C(C[C@H]1CCCN1)CS2.
What is the InChIKey of (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine?
The InChIKey is HSQVJHMLJYUCAT-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H19NOS/c1-16-12-4-5-14-13(8-12)10(9-17-14)7-11-3-2-6-15-11/h4-5,8,10-11,15H,2-3,6-7,9H2,1H3/t10?,11-/m1/s1.
What are the key properties of (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine?
(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine has a molecular weight of 249.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 178102485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).