(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide

C16H21FN2O3S — CID 94646783

IUPAC(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)C1
InChIInChI=1S/C16H21FN2O3S/c1-23(21,22)19-8-2-3-12(10-19)16(20)18-15-7-4-11-9-13(17)5-6-14(11)15/h5-6,9,12,15H,2-4,7-8,10H2,1H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyGUIBYUAOYWDFIH-IUODEOHRSA-N
MW340.42 g/mol
LogP1.60
Rot. Bonds3

About (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 94646783) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID94646783
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)C1
InChIInChI=1S/C16H21FN2O3S/c1-23(21,22)19-8-2-3-12(10-19)16(20)18-15-7-4-11-9-13(17)5-6-14(11)15/h5-6,9,12,15H,2-4,7-8,10H2,1H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyGUIBYUAOYWDFIH-IUODEOHRSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118366
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 94818124
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919
(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 125072549
(3R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51956670
(3S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51956669
1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 133189561
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641567

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 94646783) is (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)C1.
What is the InChIKey of (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is GUIBYUAOYWDFIH-IUODEOHRSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-23(21,22)19-8-2-3-12(10-19)16(20)18-15-7-4-11-9-13(17)5-6-14(11)15/h5-6,9,12,15H,2-4,7-8,10H2,1H3,(H,18,20)/t12-,15-/m1/s1.
What are the key properties of (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94646783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).