(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride

C15H20ClFN2OS — CID 119695810

IUPAC(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2ccc(F)cc21)[C@@H]1CCCCN1
InChIInChI=1S/C15H19FN2OS.ClH/c16-10-4-5-14-11(9-10)12(6-8-20-14)18-15(19)13-3-1-2-7-17-13;/h4-5,9,12-13,17H,1-3,6-8H2,(H,18,19);1H/t12?,13-;/m0./s1
InChIKeyLHPVSEOXOJFWIR-ZEDZUCNESA-N
MW330.86 g/mol
LogP3.04
Rot. Bonds2

About (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119695810) has the molecular formula C15H20ClFN2OS and a molecular weight of 330.86 g/mol. Its IUPAC name is (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119695810
Molecular FormulaC15H20ClFN2OS
Molecular Weight330.86 g/mol
Exact Mass330.10
IUPAC Name(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2ccc(F)cc21)[C@@H]1CCCCN1
InChIInChI=1S/C15H19FN2OS.ClH/c16-10-4-5-14-11(9-10)12(6-8-20-14)18-15(19)13-3-1-2-7-17-13;/h4-5,9,12-13,17H,1-3,6-8H2,(H,18,19);1H/t12?,13-;/m0./s1
InChIKeyLHPVSEOXOJFWIR-ZEDZUCNESA-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

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119291322
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119274638
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)-4-methoxypyrrolidine-2-carboxamide
CID 61215205
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940880
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
(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
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride (CID 119695810) is (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCSc2ccc(F)cc21)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is LHPVSEOXOJFWIR-ZEDZUCNESA-N. The full InChI is InChI=1S/C15H19FN2OS.ClH/c16-10-4-5-14-11(9-10)12(6-8-20-14)18-15(19)13-3-1-2-7-17-13;/h4-5,9,12-13,17H,1-3,6-8H2,(H,18,19);1H/t12?,13-;/m0./s1.
What are the key properties of (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(6-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 (2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119695810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).