N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine

C16H23NOS — CID 107644684

IUPACN-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCSc1ccccc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H23NOS/c1-19-15-7-3-2-6-14(15)17-13-8-11-18-16(12-13)9-4-5-10-16/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyHDBAYAFOLYXDIQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.31
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine

N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 107644684) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID107644684
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCSc1ccccc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H23NOS/c1-19-15-7-3-2-6-14(15)17-13-8-11-18-16(12-13)9-4-5-10-16/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyHDBAYAFOLYXDIQ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897852
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79901632
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine (CID 107644684) is N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine is CSc1ccccc1NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is HDBAYAFOLYXDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-19-15-7-3-2-6-14(15)17-13-8-11-18-16(12-13)9-4-5-10-16/h2-3,6-7,13,17H,4-5,8-12H2,1H3.
What are the key properties of N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 277.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107644684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).