N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H27NO2S — CID 103907294

IUPACN-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCSC1CCCCC1NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H27NO2S/c1-19-14-5-3-2-4-13(14)16-12-6-8-18-15(10-12)7-9-17-11-15/h12-14,16H,2-11H2,1H3
InChIKeyJIEZSDYYBZFMOV-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.59
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 103907294) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID103907294
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCSC1CCCCC1NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H27NO2S/c1-19-14-5-3-2-4-13(14)16-12-6-8-18-15(10-12)7-9-17-11-15/h12-14,16H,2-11H2,1H3
InChIKeyJIEZSDYYBZFMOV-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[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-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
N-(2-propylcyclopropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114110785
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 80721035
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 103907294) is N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine is CSC1CCCCC1NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is JIEZSDYYBZFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-19-14-5-3-2-4-13(14)16-12-6-8-18-15(10-12)7-9-17-11-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 285.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 103907294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).