(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine

C12H17NS — CID 129015917

IUPAC(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
SMILESc1cc2c(s1)CCC[C@H]2[C@H]1CCCN1
InChIInChI=1S/C12H17NS/c1-3-9(11-4-2-7-13-11)10-6-8-14-12(10)5-1/h6,8-9,11,13H,1-5,7H2/t9-,11-/m1/s1
InChIKeyTZNMUHWOYAGJNI-MWLCHTKSSA-N
MW207.34 g/mol
LogP2.92
Rot. Bonds1

About (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine

(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine (PubChem CID 129015917) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
PubChem CID129015917
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
SMILESc1cc2c(s1)CCC[C@H]2[C@H]1CCCN1
InChIInChI=1S/C12H17NS/c1-3-9(11-4-2-7-13-11)10-6-8-14-12(10)5-1/h6,8-9,11,13H,1-5,7H2/t9-,11-/m1/s1
InChIKeyTZNMUHWOYAGJNI-MWLCHTKSSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]pyrrolidine
CID 53238282
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
(4aS,7aS)-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678811
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
CID 55111676
3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64953584
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 92977551
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
CID 66629451
3-[(2R)-pyrrolidin-2-yl]thiophen-2-ol
CID 130642427
4-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 23542138

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine (CID 129015917) is (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine is c1cc2c(s1)CCC[C@H]2[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine?
The InChIKey is TZNMUHWOYAGJNI-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-9(11-4-2-7-13-11)10-6-8-14-12(10)5-1/h6,8-9,11,13H,1-5,7H2/t9-,11-/m1/s1.
What are the key properties of (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine?
(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine is sourced from PubChem (CID 129015917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).