(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide

C14H17FN2O2S — CID 125152144

IUPAC(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C14H17FN2O2S/c15-10-3-1-2-9-11(4-5-20-13(9)10)17-14(19)12-6-8(18)7-16-12/h1-3,8,11-12,16,18H,4-7H2,(H,17,19)/t8-,11+,12-/m0/s1
InChIKeyNECWZFMNDSWACM-AXTRIDKLSA-N
MW296.37 g/mol
LogP1.20
Rot. Bonds2

About (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125152144) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125152144
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C14H17FN2O2S/c15-10-3-1-2-9-11(4-5-20-13(9)10)17-14(19)12-6-8(18)7-16-12/h1-3,8,11-12,16,18H,4-7H2,(H,17,19)/t8-,11+,12-/m0/s1
InChIKeyNECWZFMNDSWACM-AXTRIDKLSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119291322
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
N-(2,3-dihydro-1H-inden-1-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119696998
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 43652030
(2R,4R)-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 124670344
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727126
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-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924350

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 125152144) is (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide is O=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is NECWZFMNDSWACM-AXTRIDKLSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c15-10-3-1-2-9-11(4-5-20-13(9)10)17-14(19)12-6-8(18)7-16-12/h1-3,8,11-12,16,18H,4-7H2,(H,17,19)/t8-,11+,12-/m0/s1.
What are the key properties of (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).