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

C17H25FN2OS — CID 146485469

IUPACN-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccc(F)cc2CC12CCNCC2
InChIInChI=1S/C17H25FN2OS/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/h4-5,10,15,19-20H,6-9,11H2,1-3H3/t15-,22?/m1/s1
InChIKeyYDYFHYNSDBPKRA-JGHKVMFLSA-N
MW324.47 g/mol
LogP2.84
Rot. Bonds2

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

N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146485469) has the molecular formula C17H25FN2OS and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID146485469
Molecular FormulaC17H25FN2OS
Molecular Weight324.47 g/mol
Exact Mass324.17
IUPAC NameN-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccc(F)cc2CC12CCNCC2
InChIInChI=1S/C17H25FN2OS/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/h4-5,10,15,19-20H,6-9,11H2,1-3H3/t15-,22?/m1/s1
InChIKeyYDYFHYNSDBPKRA-JGHKVMFLSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1,3-Dihydrospiro(indene-2,4'-piperidin)-1-amine dihydrochloride
CID 139512270
6-methyl-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118741586
5-methyl-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118742078
5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118742080
N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118742130
N-cyclopentylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118742132
N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118744827
4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
CID 75382589
5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
CID 118742079
N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
CID 118742129
N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 131654725
N-[(1S)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 58624087

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?
The IUPAC name of N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 146485469) is N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1c2ccc(F)cc2CC12CCNCC2.
What is the InChIKey of N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is YDYFHYNSDBPKRA-JGHKVMFLSA-N. The full InChI is InChI=1S/C17H25FN2OS/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/h4-5,10,15,19-20H,6-9,11H2,1-3H3/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?
N-[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 324.47 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 146485469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).