N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide

C15H19FN2O2S — CID 61215205

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC2CCSc3ccc(F)cc32)C1
InChIInChI=1S/C15H19FN2O2S/c1-20-10-7-13(17-8-10)15(19)18-12-4-5-21-14-3-2-9(16)6-11(12)14/h2-3,6,10,12-13,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyZAFVPKALTORNFO-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.86
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61215205) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61215205
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC2CCSc3ccc(F)cc32)C1
InChIInChI=1S/C15H19FN2O2S/c1-20-10-7-13(17-8-10)15(19)18-12-4-5-21-14-3-2-9(16)6-11(12)14/h2-3,6,10,12-13,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyZAFVPKALTORNFO-UHFFFAOYSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119695810
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119274625
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940880
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119274638
(1R,2R,4S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98207008
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide
CID 119695824

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide (CID 61215205) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC2CCSc3ccc(F)cc32)C1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is ZAFVPKALTORNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-20-10-7-13(17-8-10)15(19)18-12-4-5-21-14-3-2-9(16)6-11(12)14/h2-3,6,10,12-13,17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61215205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).