N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid

C19H26F4N2O3S — CID 146485468

IUPACN-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccc(F)cc2CC12CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN2OS.C2HF3O2/c1-16(2,3)22(21)20-15-14-5-4-13(18)10-12(14)11-17(15)6-8-19-9-7-17;3-2(4,5)1(6)7/h4-5,10,15,19-20H,6-9,11H2,1-3H3;(H,6,7)/t15-,22?;/m1./s1
InChIKeyXWQRJRKVLYRFQS-WZSHQUGPSA-N
MW438.49 g/mol
LogP3.48
Rot. Bonds2

About N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid

N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid (PubChem CID 146485468) has the molecular formula C19H26F4N2O3S and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
PubChem CID146485468
Molecular FormulaC19H26F4N2O3S
Molecular Weight438.49 g/mol
Exact Mass438.16
IUPAC NameN-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccc(F)cc2CC12CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN2OS.C2HF3O2/c1-16(2,3)22(21)20-15-14-5-4-13(18)10-12(14)11-17(15)6-8-19-9-7-17;3-2(4,5)1(6)7/h4-5,10,15,19-20H,6-9,11H2,1-3H3;(H,6,7)/t15-,22?;/m1./s1
InChIKeyXWQRJRKVLYRFQS-WZSHQUGPSA-N
XLogP3.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1'-Propylsulfonyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
CID 118742619
N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;2,2,2-trifluoroacetic acid
CID 118744826
Spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 139512147
N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 146485469
[tert-butylsulfinyl-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]amino] 2,2,2-trifluoroacetate
CID 146485471
(R)-N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
CID 146485473
(R)-N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 146485474
tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 153580367
tert-butyl (1S)-1-(tert-butylsulfinylamino)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 155164580
2-methyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide;2,2,2-trifluoroacetic acid
CID 155388338
[tert-butylsulfinyl-[(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]amino] 2,2,2-trifluoroacetate
CID 155388340
(R)-2-methyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide;2,2,2-trifluoroacetic acid
CID 155388342

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid (CID 146485468) is N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid is CC(C)(C)S(=O)N[C@@H]1c2ccc(F)cc2CC12CCNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
The InChIKey is XWQRJRKVLYRFQS-WZSHQUGPSA-N. The full InChI is InChI=1S/C17H25FN2OS.C2HF3O2/c1-16(2,3)22(21)20-15-14-5-4-13(18)10-12(14)11-17(15)6-8-19-9-7-17;3-2(4,5)1(6)7/h4-5,10,15,19-20H,6-9,11H2,1-3H3;(H,6,7)/t15-,22?;/m1./s1.
What are the key properties of N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid has a molecular weight of 438.49 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146485468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).