N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide

C22H36N2O2S — CID 58033897

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide
SMILESCN([C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)S(C)(=O)=O
InChIInChI=1S/C22H36N2O2S/c1-21(2,3)12-15-24-16-13-22(14-17-24)11-10-20(23(4)27(5,25)26)18-8-6-7-9-19(18)22/h6-9,20H,10-17H2,1-5H3/t20-/m0/s1
InChIKeyFIFRBJSNUPTFAC-FQEVSTJZSA-N
MW392.61 g/mol
LogP4.18
Rot. Bonds4

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide (PubChem CID 58033897) has the molecular formula C22H36N2O2S and a molecular weight of 392.61 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide
PubChem CID58033897
Molecular FormulaC22H36N2O2S
Molecular Weight392.61 g/mol
Exact Mass392.25
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide
SMILESCN([C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)S(C)(=O)=O
InChIInChI=1S/C22H36N2O2S/c1-21(2,3)12-15-24-16-13-22(14-17-24)11-10-20(23(4)27(5,25)26)18-8-6-7-9-19(18)22/h6-9,20H,10-17H2,1-5H3/t20-/m0/s1
InChIKeyFIFRBJSNUPTFAC-FQEVSTJZSA-N
XLogP4.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide (CID 58033897) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide is CN([C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)S(C)(=O)=O.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide?
The InChIKey is FIFRBJSNUPTFAC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H36N2O2S/c1-21(2,3)12-15-24-16-13-22(14-17-24)11-10-20(23(4)27(5,25)26)18-8-6-7-9-19(18)22/h6-9,20H,10-17H2,1-5H3/t20-/m0/s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide has a molecular weight of 392.61 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58033897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).