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

C20H32N2O2S — CID 58033772

IUPACN-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
SMILESCC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1
InChIInChI=1S/C20H32N2O2S/c1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20/h4-7,16,19,21H,8-15H2,1-3H3/t19-/m0/s1
InChIKeyCGRVAWCANYAVHX-IBGZPJMESA-N
MW364.56 g/mol
LogP3.45
Rot. Bonds5

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

N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide (PubChem CID 58033772) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
PubChem CID58033772
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide
SMILESCC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1
InChIInChI=1S/C20H32N2O2S/c1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20/h4-7,16,19,21H,8-15H2,1-3H3/t19-/m0/s1
InChIKeyCGRVAWCANYAVHX-IBGZPJMESA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide
CID 13074428
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-yl)methanesulfonamide
CID 44610723
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 70696191
N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 145949682
N-[[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 145956447
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-N-methylpropane-1-sulfonamide
CID 57467219
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57467301
N-[3-[8-benzyl-7-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
CID 57467343
N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57471344
N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
CID 57471374
N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57471405
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-N-methylpropane-1-sulfonamide
CID 57471434

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide?
The IUPAC name of N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide (CID 58033772) is N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide is CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.
What is the InChIKey of N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide?
The InChIKey is CGRVAWCANYAVHX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20/h4-7,16,19,21H,8-15H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide?
N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide has a molecular weight of 364.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide is sourced from PubChem (CID 58033772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).