N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen

C23H36N2O2S — CID 158332642

IUPACN-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
SMILESCS(=O)(=O)N[C@H]1CCC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C23H32N2O2S.2H2/c1-28(26,27)24-22-8-9-23(21-5-3-2-4-20(21)22)10-12-25(13-11-23)16-19-15-17-6-7-18(19)14-17;;/h2-7,17-19,22,24H,8-16H2,1H3;2*1H/t17?,18?,19?,22-;;/m0../s1
InChIKeyGQETVMXRKVFVRU-YQPQEUGFSA-N
MW404.62 g/mol
LogP4.11
Rot. Bonds4

About N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen

N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen (PubChem CID 158332642) has the molecular formula C23H36N2O2S and a molecular weight of 404.62 g/mol. Its IUPAC name is N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
PubChem CID158332642
Molecular FormulaC23H36N2O2S
Molecular Weight404.62 g/mol
Exact Mass404.25
IUPAC NameN-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
SMILESCS(=O)(=O)N[C@H]1CCC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C23H32N2O2S.2H2/c1-28(26,27)24-22-8-9-23(21-5-3-2-4-20(21)22)10-12-25(13-11-23)16-19-15-17-6-7-18(19)14-17;;/h2-7,17-19,22,24H,8-16H2,1H3;2*1H/t17?,18?,19?,22-;;/m0../s1
InChIKeyGQETVMXRKVFVRU-YQPQEUGFSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 118742623
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
N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide
CID 14181221
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide
CID 19823469
N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
CID 19823507
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
CID 24875633
N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
CID 58033772
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide
CID 58033897
N-[(1S)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide
CID 58624027
N-[(1S)-1'-[[(1S,3S,6S)-3-bicyclo[4.3.1]dec-8-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 58624053
N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 58624059
N-[(1S)-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
CID 58815555

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen (CID 158332642) is N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen is CS(=O)(=O)N[C@H]1CCC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21.[H][H].[H][H].
What is the InChIKey of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
The InChIKey is GQETVMXRKVFVRU-YQPQEUGFSA-N. The full InChI is InChI=1S/C23H32N2O2S.2H2/c1-28(26,27)24-22-8-9-23(21-5-3-2-4-20(21)22)10-12-25(13-11-23)16-19-15-17-6-7-18(19)14-17;;/h2-7,17-19,22,24H,8-16H2,1H3;2*1H/t17?,18?,19?,22-;;/m0../s1.
What are the key properties of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen has a molecular weight of 404.62 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 158332642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).