3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine

C11H17NS — CID 112715433

IUPAC3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
SMILESCc1ccsc1C(C)C1CCNC1
InChIInChI=1S/C11H17NS/c1-8-4-6-13-11(8)9(2)10-3-5-12-7-10/h4,6,9-10,12H,3,5,7H2,1-2H3
InChIKeyCQLPITJPZAVYRB-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.77
Rot. Bonds2

About 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine

3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine (PubChem CID 112715433) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
PubChem CID112715433
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
SMILESCc1ccsc1C(C)C1CCNC1
InChIInChI=1S/C11H17NS/c1-8-4-6-13-11(8)9(2)10-3-5-12-7-10/h4,6,9-10,12H,3,5,7H2,1-2H3
InChIKeyCQLPITJPZAVYRB-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine
CID 175066665
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine
CID 83910004
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 106640377
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
CID 112565383
4-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023128
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine (CID 112715433) is 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine is Cc1ccsc1C(C)C1CCNC1.
What is the InChIKey of 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine?
The InChIKey is CQLPITJPZAVYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-4-6-13-11(8)9(2)10-3-5-12-7-10/h4,6,9-10,12H,3,5,7H2,1-2H3.
What are the key properties of 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine?
3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine has a molecular weight of 195.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 112715433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).