N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide

C16H22N2OS — CID 107067269

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C16H22N2OS/c1-11-5-4-9-17-15(11)16(19)18-13-8-10-20-14-7-3-2-6-12(13)14/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyZINCFRHGTLGVGU-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.73
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide (PubChem CID 107067269) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
PubChem CID107067269
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C16H22N2OS/c1-11-5-4-9-17-15(11)16(19)18-13-8-10-20-14-7-3-2-6-12(13)14/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyZINCFRHGTLGVGU-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918838
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119323965
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
CID 75617518
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
CID 106256043

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide (CID 107067269) is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide?
The InChIKey is ZINCFRHGTLGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-5-4-9-17-15(11)16(19)18-13-8-10-20-14-7-3-2-6-12(13)14/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).