N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide

C15H19ClN2OS — CID 43709277

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)C1CCNCC1
InChIInChI=1S/C15H19ClN2OS/c16-11-1-2-14-12(9-11)13(5-8-20-14)18-15(19)10-3-6-17-7-4-10/h1-2,9-10,13,17H,3-8H2,(H,18,19)
InChIKeyXIYDSZLZKPHGBE-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.99
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide (PubChem CID 43709277) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
PubChem CID43709277
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)C1CCNCC1
InChIInChI=1S/C15H19ClN2OS/c16-11-1-2-14-12(9-11)13(5-8-20-14)18-15(19)10-3-6-17-7-4-10/h1-2,9-10,13,17H,3-8H2,(H,18,19)
InChIKeyXIYDSZLZKPHGBE-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119696448
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 60850857
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388829
9-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984131
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidin-3-amine
CID 79730659
N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007669
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007670
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)adamantane-1-carboxamide
CID 18120449

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide (CID 43709277) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide is O=C(NC1CCSc2ccc(Cl)cc21)C1CCNCC1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide?
The InChIKey is XIYDSZLZKPHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c16-11-1-2-14-12(9-11)13(5-8-20-14)18-15(19)10-3-6-17-7-4-10/h1-2,9-10,13,17H,3-8H2,(H,18,19).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide has a molecular weight of 310.85 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43709277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).