N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine

C15H23N3O2S — CID 64628559

IUPACN-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1Sc1ncc(C)cn1)OCCO2
InChIInChI=1S/C15H23N3O2S/c1-3-16-12-4-5-15(19-6-7-20-15)8-13(12)21-14-17-9-11(2)10-18-14/h9-10,12-13,16H,3-8H2,1-2H3
InChIKeyVMUIREOPBVNARU-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine

N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64628559) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64628559
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1Sc1ncc(C)cn1)OCCO2
InChIInChI=1S/C15H23N3O2S/c1-3-16-12-4-5-15(19-6-7-20-15)8-13(12)21-14-17-9-11(2)10-18-14/h9-10,12-13,16H,3-8H2,1-2H3
InChIKeyVMUIREOPBVNARU-UHFFFAOYSA-N
XLogP2.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64628559) is N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1Sc1ncc(C)cn1)OCCO2.
What is the InChIKey of N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is VMUIREOPBVNARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-16-12-4-5-15(19-6-7-20-15)8-13(12)21-14-17-9-11(2)10-18-14/h9-10,12-13,16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 309.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64628559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).