N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide

C15H18FNO2S — CID 110014064

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NC1CCSc2c(F)cccc21)C1CCCC1O
InChIInChI=1S/C15H18FNO2S/c16-11-5-1-3-9-12(7-8-20-14(9)11)17-15(19)10-4-2-6-13(10)18/h1,3,5,10,12-13,18H,2,4,6-8H2,(H,17,19)
InChIKeyUGRPIJOOQBHICL-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.64
Rot. Bonds2

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014064) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014064
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NC1CCSc2c(F)cccc21)C1CCCC1O
InChIInChI=1S/C15H18FNO2S/c16-11-5-1-3-9-12(7-8-20-14(9)11)17-15(19)10-4-2-6-13(10)18/h1,3,5,10,12-13,18H,2,4,6-8H2,(H,17,19)
InChIKeyUGRPIJOOQBHICL-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125152144
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
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2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447
4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-naphthalen-1-ylacetamide
CID 25401650
1-(2,4-difluorophenyl)-3-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 27870358
4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25488924
3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55759460
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727126
1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 129371063

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide (CID 110014064) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide is O=C(NC1CCSc2c(F)cccc21)C1CCCC1O.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is UGRPIJOOQBHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c16-11-5-1-3-9-12(7-8-20-14(9)11)17-15(19)10-4-2-6-13(10)18/h1,3,5,10,12-13,18H,2,4,6-8H2,(H,17,19).
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).