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

C21H32N2OS — CID 24876430

IUPACN-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCSC(C)CCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1
InChIInChI=1S/C21H32N2OS/c1-16(25-3)9-13-23-14-11-21(12-15-23)10-8-20(22-17(2)24)18-6-4-5-7-19(18)21/h4-7,16,20H,8-15H2,1-3H3,(H,22,24)/t16?,20-/m0/s1
InChIKeyGFVCUGMOUIZZKD-FZCLLLDFSA-N
MW360.57 g/mol
LogP4.13
Rot. Bonds5

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

N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 24876430) has the molecular formula C21H32N2OS and a molecular weight of 360.57 g/mol. Its IUPAC name is N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID24876430
Molecular FormulaC21H32N2OS
Molecular Weight360.57 g/mol
Exact Mass360.22
IUPAC NameN-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCSC(C)CCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1
InChIInChI=1S/C21H32N2OS/c1-16(25-3)9-13-23-14-11-21(12-15-23)10-8-20(22-17(2)24)18-6-4-5-7-19(18)21/h4-7,16,20H,8-15H2,1-3H3,(H,22,24)/t16?,20-/m0/s1
InChIKeyGFVCUGMOUIZZKD-FZCLLLDFSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((S)-6-((diethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-(2-(tetrahydrothiophen-2-yl)ethyl)piperazin-2-one
CID 44417927
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 45822054
2-methylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]acetamide
CID 72012177
1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one
CID 118742603
2-(benzylthio)-N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)acetamide
CID 71792786
3-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-1-methyl-1-(1-oxothian-4-yl)urea
CID 97157286
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 24875454
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
CID 24875457
2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24876005
N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24876006
3-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
CID 24876185
1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-4-carboxamide
CID 24876590

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 24876430) is N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CSC(C)CCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.
What is the InChIKey of N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is GFVCUGMOUIZZKD-FZCLLLDFSA-N. The full InChI is InChI=1S/C21H32N2OS/c1-16(25-3)9-13-23-14-11-21(12-15-23)10-8-20(22-17(2)24)18-6-4-5-7-19(18)21/h4-7,16,20H,8-15H2,1-3H3,(H,22,24)/t16?,20-/m0/s1.
What are the key properties of N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 360.57 g/mol, XLogP of 4.13, 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-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 24876430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).