N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C13H23NO2S — CID 130847982

IUPACN-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CSCC1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO2S/c1-10-8-17-9-12(10)14-11-2-4-13(5-3-11)15-6-7-16-13/h10-12,14H,2-9H2,1H3
InChIKeyLUNYSUMZSDFIKO-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.01
Rot. Bonds2

About N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 130847982) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID130847982
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CSCC1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO2S/c1-10-8-17-9-12(10)14-11-2-4-13(5-3-11)15-6-7-16-13/h10-12,14H,2-9H2,1H3
InChIKeyLUNYSUMZSDFIKO-UHFFFAOYSA-N
XLogP2.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-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-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43194980
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43710247
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 102795154
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43317686
N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130670326
3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine
CID 127017092
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
CID 47372558
N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130609525
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 130519839

Frequently Asked Questions

What is the IUPAC name of N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 130847982) is N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC1CSCC1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is LUNYSUMZSDFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-10-8-17-9-12(10)14-11-2-4-13(5-3-11)15-6-7-16-13/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 257.40 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 130847982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).