1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]

C14H19FN2O2S — CID 18004971

IUPAC1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]
SMILESCCS(=O)(=O)N1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C14H19FN2O2S/c1-2-20(18,19)17-10-14(5-7-16-8-6-14)12-9-11(15)3-4-13(12)17/h3-4,9,16H,2,5-8,10H2,1H3
InChIKeyKMQLJWCPHJOUIZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.62
Rot. Bonds2

About 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]

1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine] (PubChem CID 18004971) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]
PubChem CID18004971
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]
SMILESCCS(=O)(=O)N1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C14H19FN2O2S/c1-2-20(18,19)17-10-14(5-7-16-8-6-14)12-9-11(15)3-4-13(12)17/h3-4,9,16H,2,5-8,10H2,1H3
InChIKeyKMQLJWCPHJOUIZ-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine] (CID 18004971) is 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine] is CCS(=O)(=O)N1CC2(CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]?
The InChIKey is KMQLJWCPHJOUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-2-20(18,19)17-10-14(5-7-16-8-6-14)12-9-11(15)3-4-13(12)17/h3-4,9,16H,2,5-8,10H2,1H3.
What are the key properties of 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]?
1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine] has a molecular weight of 298.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 18004971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).