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

C21H34N2O2S — CID 24875633

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1
InChIInChI=1S/C21H34N2O2S/c1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21/h5-8,19,22H,9-16H2,1-4H3/t19-/m0/s1
InChIKeyAIALHHDFKJFNQF-IBGZPJMESA-N
MW378.58 g/mol
LogP3.84
Rot. Bonds4

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

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide (PubChem CID 24875633) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
PubChem CID24875633
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1
InChIInChI=1S/C21H34N2O2S/c1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21/h5-8,19,22H,9-16H2,1-4H3/t19-/m0/s1
InChIKeyAIALHHDFKJFNQF-IBGZPJMESA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
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]methanesulfonamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide (CID 24875633) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide is CC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide?
The InChIKey is AIALHHDFKJFNQF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21/h5-8,19,22H,9-16H2,1-4H3/t19-/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]methanesulfonamide?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide has a molecular weight of 378.58 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 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]methanesulfonamide is sourced from PubChem (CID 24875633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).