N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H22FN3O3S2 — CID 43063464

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H22FN3O3S2/c21-15-3-4-19-17(12-15)18(7-11-28-19)23-20(25)14-5-9-24(10-6-14)29(26,27)16-2-1-8-22-13-16/h1-4,8,12-14,18H,5-7,9-11H2,(H,23,25)
InChIKeySIOSEMSVVONUHH-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.97
Rot. Bonds4

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43063464) has the molecular formula C20H22FN3O3S2 and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43063464
Molecular FormulaC20H22FN3O3S2
Molecular Weight435.55 g/mol
Exact Mass435.11
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H22FN3O3S2/c21-15-3-4-19-17(12-15)18(7-11-28-19)23-20(25)14-5-9-24(10-6-14)29(26,27)16-2-1-8-22-13-16/h1-4,8,12-14,18H,5-7,9-11H2,(H,23,25)
InChIKeySIOSEMSVVONUHH-UHFFFAOYSA-N
XLogP2.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(benzenesulfonyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide
CID 26002416
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40987349
tert-butyl 4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51247475
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007670
N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007669

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43063464) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SIOSEMSVVONUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S2/c21-15-3-4-19-17(12-15)18(7-11-28-19)23-20(25)14-5-9-24(10-6-14)29(26,27)16-2-1-8-22-13-16/h1-4,8,12-14,18H,5-7,9-11H2,(H,23,25).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43063464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).