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

C15H21NOS — CID 178102472

IUPAC2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
SMILESCOc1ccc2c(c1)C(CC1CCCN1C)CS2
InChIInChI=1S/C15H21NOS/c1-16-7-3-4-12(16)8-11-10-18-15-6-5-13(17-2)9-14(11)15/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyFUZZJHQQGOFRKN-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds3

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

2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine (PubChem CID 178102472) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
PubChem CID178102472
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
SMILESCOc1ccc2c(c1)C(CC1CCCN1C)CS2
InChIInChI=1S/C15H21NOS/c1-16-7-3-4-12(16)8-11-10-18-15-6-5-13(17-2)9-14(11)15/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyFUZZJHQQGOFRKN-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[5-(cyclopropylmethoxy)-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102579
2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102820
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
(2R)-1-methyl-2-[[5-(oxan-4-yl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102625
(2R)-1-methyl-2-[[(3R)-5-thiophen-3-yl-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102520
(3S)-5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102736
(3R)-5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102581
(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 178102485
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
(2R)-2-[[(1S)-6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102376
2-[[6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102576
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine (CID 178102472) is 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine is COc1ccc2c(c1)C(CC1CCCN1C)CS2.
What is the InChIKey of 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
The InChIKey is FUZZJHQQGOFRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-16-7-3-4-12(16)8-11-10-18-15-6-5-13(17-2)9-14(11)15/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine has a molecular weight of 263.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).