N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride

C15H20ClFN2OS — CID 119291322

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2c(F)cccc21)C1CCCCN1
InChIInChI=1S/C15H19FN2OS.ClH/c16-11-5-3-4-10-12(7-9-20-14(10)11)18-15(19)13-6-1-2-8-17-13;/h3-5,12-13,17H,1-2,6-9H2,(H,18,19);1H
InChIKeyKUBXGWIEVOUHJT-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.04
Rot. Bonds2

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119291322) has the molecular formula C15H20ClFN2OS and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119291322
Molecular FormulaC15H20ClFN2OS
Molecular Weight330.86 g/mol
Exact Mass330.10
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2c(F)cccc21)C1CCCCN1
InChIInChI=1S/C15H19FN2OS.ClH/c16-11-5-3-4-10-12(7-9-20-14(10)11)18-15(19)13-6-1-2-8-17-13;/h3-5,12-13,17H,1-2,6-9H2,(H,18,19);1H
InChIKeyKUBXGWIEVOUHJT-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.04
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
(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119695810
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727126
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119323965
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride (CID 119291322) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCSc2c(F)cccc21)C1CCCCN1.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is KUBXGWIEVOUHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS.ClH/c16-11-5-3-4-10-12(7-9-20-14(10)11)18-15(19)13-6-1-2-8-17-13;/h3-5,12-13,17H,1-2,6-9H2,(H,18,19);1H.
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.04, 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)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119291322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).