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

C11H21NO2S — CID 79904121

IUPACN-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCSCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C11H21NO2S/c1-15-7-4-12-10-2-5-14-11(8-10)3-6-13-9-11/h10,12H,2-9H2,1H3
InChIKeyGYRWVGDLNWQCQU-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.28
Rot. Bonds4

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

N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79904121) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79904121
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCSCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C11H21NO2S/c1-15-7-4-12-10-2-5-14-11(8-10)3-6-13-9-11/h10,12H,2-9H2,1H3
InChIKeyGYRWVGDLNWQCQU-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methylsulfanylethyl)-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-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-[2-(3-methylbutoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895677
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897668
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79895671
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79904121) is N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine is CSCCNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is GYRWVGDLNWQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-7-4-12-10-2-5-14-11(8-10)3-6-13-9-11/h10,12H,2-9H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 231.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79904121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).