3-cyclopenta[b]thiopyran-5-ylpyrrolidine

C12H13NS — CID 57078290

IUPAC3-cyclopenta[b]thiopyran-5-ylpyrrolidine
SMILESc1csc2ccc(C3CCNC3)c-2c1
InChIInChI=1S/C12H13NS/c1-2-11-10(9-5-6-13-8-9)3-4-12(11)14-7-1/h1-4,7,9,13H,5-6,8H2
InChIKeyOXZNPZXVCUTDIT-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.93
Rot. Bonds1

About 3-cyclopenta[b]thiopyran-5-ylpyrrolidine

3-cyclopenta[b]thiopyran-5-ylpyrrolidine (PubChem CID 57078290) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-cyclopenta[b]thiopyran-5-ylpyrrolidine.

Molecular Properties

Compound Name3-cyclopenta[b]thiopyran-5-ylpyrrolidine
PubChem CID57078290
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name3-cyclopenta[b]thiopyran-5-ylpyrrolidine
SMILESc1csc2ccc(C3CCNC3)c-2c1
InChIInChI=1S/C12H13NS/c1-2-11-10(9-5-6-13-8-9)3-4-12(11)14-7-1/h1-4,7,9,13H,5-6,8H2
InChIKeyOXZNPZXVCUTDIT-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
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3-(3-bromo-2-fluorophenyl)pyrrolidine
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(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
CID 143821603
3-(3-chlorothiophen-2-yl)pyrrolidine
CID 82655748
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-[2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46205703
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
3-(4-methylnaphthalen-1-yl)pyrrolidine
CID 70971659
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
(3R,4S)-4-thiophen-2-ylpiperidin-3-ol
CID 69452815
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta[b]thiopyran-5-ylpyrrolidine?
The IUPAC name of 3-cyclopenta[b]thiopyran-5-ylpyrrolidine (CID 57078290) is 3-cyclopenta[b]thiopyran-5-ylpyrrolidine.
What is the SMILES notation for 3-cyclopenta[b]thiopyran-5-ylpyrrolidine?
The canonical SMILES for 3-cyclopenta[b]thiopyran-5-ylpyrrolidine is c1csc2ccc(C3CCNC3)c-2c1.
What is the InChIKey of 3-cyclopenta[b]thiopyran-5-ylpyrrolidine?
The InChIKey is OXZNPZXVCUTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-11-10(9-5-6-13-8-9)3-4-12(11)14-7-1/h1-4,7,9,13H,5-6,8H2.
What are the key properties of 3-cyclopenta[b]thiopyran-5-ylpyrrolidine?
3-cyclopenta[b]thiopyran-5-ylpyrrolidine has a molecular weight of 203.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta[b]thiopyran-5-ylpyrrolidine is sourced from PubChem (CID 57078290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).