3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine

C14H19NS — CID 84796476

IUPAC3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
SMILESCC1Cc2cccc(CC3CCNC3)c2S1
InChIInChI=1S/C14H19NS/c1-10-7-12-3-2-4-13(14(12)16-10)8-11-5-6-15-9-11/h2-4,10-11,15H,5-9H2,1H3
InChIKeyPFWUGIYSCYLNLP-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.88
Rot. Bonds2

About 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine

3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine (PubChem CID 84796476) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
PubChem CID84796476
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
SMILESCC1Cc2cccc(CC3CCNC3)c2S1
InChIInChI=1S/C14H19NS/c1-10-7-12-3-2-4-13(14(12)16-10)8-11-5-6-15-9-11/h2-4,10-11,15H,5-9H2,1H3
InChIKeyPFWUGIYSCYLNLP-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 84793933
1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 84793759
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
CID 117372199
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
CID 117366081
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784139
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine?
The IUPAC name of 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine (CID 84796476) is 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine is CC1Cc2cccc(CC3CCNC3)c2S1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine?
The InChIKey is PFWUGIYSCYLNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-10-7-12-3-2-4-13(14(12)16-10)8-11-5-6-15-9-11/h2-4,10-11,15H,5-9H2,1H3.
What are the key properties of 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine?
3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine is sourced from PubChem (CID 84796476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).