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

C14H19NS — CID 84796479

IUPAC3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
SMILESc1cc(CC2CCNC2)c2c(c1)SCCC2
InChIInChI=1S/C14H19NS/c1-3-12(9-11-6-7-15-10-11)13-4-2-8-16-14(13)5-1/h1,3,5,11,15H,2,4,6-10H2
InChIKeyOJLCTOWYOAYECS-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.88
Rot. Bonds2

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

3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine (PubChem CID 84796479) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
PubChem CID84796479
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
SMILESc1cc(CC2CCNC2)c2c(c1)SCCC2
InChIInChI=1S/C14H19NS/c1-3-12(9-11-6-7-15-10-11)13-4-2-8-16-14(13)5-1/h1,3,5,11,15H,2,4,6-10H2
InChIKeyOJLCTOWYOAYECS-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
CID 117372199
3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
CID 84699011
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
2-(pyrrolidin-3-ylmethyl)benzonitrile;hydrochloride
CID 45074463
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 84793933
3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
CID 84796476
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
CID 84797929

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine?
The IUPAC name of 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine (CID 84796479) is 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine is c1cc(CC2CCNC2)c2c(c1)SCCC2.
What is the InChIKey of 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine?
The InChIKey is OJLCTOWYOAYECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-12(9-11-6-7-15-10-11)13-4-2-8-16-14(13)5-1/h1,3,5,11,15H,2,4,6-10H2.
What are the key properties of 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine?
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine is sourced from PubChem (CID 84796479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).