3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine

C12H15NS — CID 178102394

IUPAC3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine
SMILESc1ccc2c(c1)SCC2C1CCNC1
InChIInChI=1S/C12H15NS/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,9,11,13H,5-8H2
InChIKeyGJJHFXXIHRWAJU-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.49
Rot. Bonds1

About 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine

3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine (PubChem CID 178102394) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine
PubChem CID178102394
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine
SMILESc1ccc2c(c1)SCC2C1CCNC1
InChIInChI=1S/C12H15NS/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,9,11,13H,5-8H2
InChIKeyGJJHFXXIHRWAJU-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54260071
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CID 19043208
(4aR,10bS)-2-methyl-1,3,4,4a,5,10b-hexahydrothiochromeno[4,3-c]pyridine;hydrochloride
CID 70427817
2,3,4,4a,4b,5,10b,11,12,12a-decahydro-1H-naphtho[1,2-c]thiochromene
CID 158511904
N-(azepan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211900
(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine
CID 79221419
(4aR,11bS)-1,2,3,4,4a,5,6,11b-octahydro-[1]benzoxepino[4,5-c]pyridine
CID 165145899
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716245
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
CID 79221731
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213389
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine (CID 178102394) is 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine is c1ccc2c(c1)SCC2C1CCNC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine?
The InChIKey is GJJHFXXIHRWAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,9,11,13H,5-8H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine?
3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine has a molecular weight of 205.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine is sourced from PubChem (CID 178102394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).