(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide

C16H23FN2O2S — CID 155774410

IUPAC(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1c2cccc(F)c2OC12CCNCC2
InChIInChI=1S/C16H23FN2O2S/c1-15(2,3)22(20)19-14-11-5-4-6-12(17)13(11)21-16(14)7-9-18-10-8-16/h4-6,14,18-19H,7-10H2,1-3H3/t14-,22-/m1/s1
InChIKeyISVBPKSFESGJDT-JLCFBVMHSA-N
MW326.44 g/mol
LogP2.43
Rot. Bonds2

About (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155774410) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID155774410
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1c2cccc(F)c2OC12CCNCC2
InChIInChI=1S/C16H23FN2O2S/c1-15(2,3)22(20)19-14-11-5-4-6-12(17)13(11)21-16(14)7-9-18-10-8-16/h4-6,14,18-19H,7-10H2,1-3H3/t14-,22-/m1/s1
InChIKeyISVBPKSFESGJDT-JLCFBVMHSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-ylpropane-2-sulfinamide
CID 164743553
2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
(R)-N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 164743854
(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
CID 162375032
(R)-N-(7-azaspiro[3.5]nonan-2-yl)-2-methylpropane-2-sulfinamide
CID 139427337
(R)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 151205866
tert-butyl (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 163922648
(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide
CID 137479573
methyl 3-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynoate
CID 171454761
(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171454740
(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
CID 155165249
(8R)-8-(tert-butylsulfinylamino)spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylic acid
CID 146485416

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide (CID 155774410) is (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1c2cccc(F)c2OC12CCNCC2.
What is the InChIKey of (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ISVBPKSFESGJDT-JLCFBVMHSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-15(2,3)22(20)19-14-11-5-4-6-12(17)13(11)21-16(14)7-9-18-10-8-16/h4-6,14,18-19H,7-10H2,1-3H3/t14-,22-/m1/s1.
What are the key properties of (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 326.44 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155774410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).