3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine

C13H17NS — CID 62329474

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
SMILESc1cc2c(cc1SC1CCNC1)CCC2
InChIInChI=1S/C13H17NS/c1-2-10-4-5-12(8-11(10)3-1)15-13-6-7-14-9-13/h4-5,8,13-14H,1-3,6-7,9H2
InChIKeyZOXBWBZQNYRNNY-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.63
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine

3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine (PubChem CID 62329474) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
PubChem CID62329474
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
SMILESc1cc2c(cc1SC1CCNC1)CCC2
InChIInChI=1S/C13H17NS/c1-2-10-4-5-12(8-11(10)3-1)15-13-6-7-14-9-13/h4-5,8,13-14H,1-3,6-7,9H2
InChIKeyZOXBWBZQNYRNNY-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
CID 94844656
3-(4-fluorophenyl)sulfanylpyrrolidine
CID 62328283
bis(3-(3,4-dichlorophenyl)sulfanylpyrrolidine);hydrate;dihydrochloride
CID 131714712
3-phenylsulfanylpyrrolidine
CID 18337182
4-pyrrolidin-3-ylsulfanylbenzonitrile
CID 146510294
3-(2,3-dihydro-1H-inden-5-yl)piperidin-4-amine
CID 82614224
3-(4-methylphenyl)sulfanylazepane
CID 79019900
5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)pyrrolidine-2,4-dione
CID 70444601
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
CID 117032101
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine
CID 117034371
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 63531678

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine (CID 62329474) is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine is c1cc2c(cc1SC1CCNC1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine?
The InChIKey is ZOXBWBZQNYRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-2-10-4-5-12(8-11(10)3-1)15-13-6-7-14-9-13/h4-5,8,13-14H,1-3,6-7,9H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine?
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine is sourced from PubChem (CID 62329474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).