1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine

C14H19NS — CID 79318516

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
SMILESCC1CCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C14H19NS/c1-11-5-4-8-15(11)10-13-9-12-6-2-3-7-14(12)16-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3
InChIKeyHWRPLLKGRYXMFD-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.19
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine (PubChem CID 79318516) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
PubChem CID79318516
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
SMILESCC1CCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C14H19NS/c1-11-5-4-8-15(11)10-13-9-12-6-2-3-7-14(12)16-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3
InChIKeyHWRPLLKGRYXMFD-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
CID 79228637
2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 79223787
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
CID 79222902
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one
CID 113440410
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylpiperidin-2-yl]methanamine
CID 79228319
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 79315103
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-pyrrolidin-2-ylpiperidine
CID 79228410
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 79312215
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine (CID 79318516) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine is CC1CCCN1CC1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine?
The InChIKey is HWRPLLKGRYXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-11-5-4-8-15(11)10-13-9-12-6-2-3-7-14(12)16-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine is sourced from PubChem (CID 79318516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).