3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine

C13H17NOS — CID 84699011

IUPAC3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
SMILESc1cc(OC2CCNC2)c2c(c1)SCCC2
InChIInChI=1S/C13H17NOS/c1-4-12(15-10-6-7-14-9-10)11-3-2-8-16-13(11)5-1/h1,4-5,10,14H,2-3,6-9H2
InChIKeyIBEZXNWGOAQTHF-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.47
Rot. Bonds2

About 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine

3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine (PubChem CID 84699011) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
PubChem CID84699011
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
SMILESc1cc(OC2CCNC2)c2c(c1)SCCC2
InChIInChI=1S/C13H17NOS/c1-4-12(15-10-6-7-14-9-10)11-3-2-8-16-13(11)5-1/h1,4-5,10,14H,2-3,6-9H2
InChIKeyIBEZXNWGOAQTHF-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117
2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
CID 84683934
3-[(3-methyl-1-benzothiophen-4-yl)oxy]pyrrolidine
CID 84697002
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
1-methyl-5-pyrrolidin-3-yloxy-3,4-dihydroquinolin-2-one
CID 117209696
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
4-pyrrolidin-3-yloxy-1,2-benzothiazole
CID 84685931
1-methyl-7-pyrrolidin-3-yloxy-2,3-dihydroindole
CID 84683935
(3R)-3-(2-ethoxyphenoxy)pyrrolidine
CID 26191976

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine?
The IUPAC name of 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine (CID 84699011) is 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine?
The canonical SMILES for 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine is c1cc(OC2CCNC2)c2c(c1)SCCC2.
What is the InChIKey of 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine?
The InChIKey is IBEZXNWGOAQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-4-12(15-10-6-7-14-9-10)11-3-2-8-16-13(11)5-1/h1,4-5,10,14H,2-3,6-9H2.
What are the key properties of 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine?
3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine is sourced from PubChem (CID 84699011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).