4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]

C17H23FN2O2S — CID 102558277

IUPAC4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
SMILESCC1CCCN(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)C1
InChIInChI=1S/C17H23FN2O2S/c1-13-5-3-10-19(11-13)23(21,22)20-12-17(8-4-9-17)16-14(18)6-2-7-15(16)20/h2,6-7,13H,3-5,8-12H2,1H3
InChIKeyFFIORYUOTXDVSW-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.04
Rot. Bonds2

About 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]

4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane] (PubChem CID 102558277) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane].

Molecular Properties

Compound Name4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
PubChem CID102558277
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
SMILESCC1CCCN(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)C1
InChIInChI=1S/C17H23FN2O2S/c1-13-5-3-10-19(11-13)23(21,22)20-12-17(8-4-9-17)16-14(18)6-2-7-15(16)20/h2,6-7,13H,3-5,8-12H2,1H3
InChIKeyFFIORYUOTXDVSW-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane] with MolForge

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Related Compounds

1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110865728
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride
CID 154787429
1-[(3,3-dimethyl-2H-1-benzofuran-5-yl)sulfonyl]-4-fluorospiro[2H-indole-3,1'-cyclopentane]
CID 170540874
1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
CID 99817972
3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 115872498
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine
CID 68746995
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]?
The IUPAC name of 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane] (CID 102558277) is 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane].
What is the SMILES notation for 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]?
The canonical SMILES for 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane] is CC1CCCN(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)C1.
What is the InChIKey of 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]?
The InChIKey is FFIORYUOTXDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-13-5-3-10-19(11-13)23(21,22)20-12-17(8-4-9-17)16-14(18)6-2-7-15(16)20/h2,6-7,13H,3-5,8-12H2,1H3.
What are the key properties of 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]?
4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane] has a molecular weight of 338.45 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane] is sourced from PubChem (CID 102558277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).