(4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine

C13H19N3O2S — CID 146477525

IUPAC(4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine
SMILESCN1CCC2(CC1)CS(=O)(=O)c1ncccc1[C@H]2N
InChIInChI=1S/C13H19N3O2S/c1-16-7-4-13(5-8-16)9-19(17,18)12-10(11(13)14)3-2-6-15-12/h2-3,6,11H,4-5,7-9,14H2,1H3/t11-/m1/s1
InChIKeyZNBRKGHGHQDUBM-LLVKDONJSA-N
MW281.38 g/mol
LogP0.58
Rot. Bonds

About (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine

(4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine (PubChem CID 146477525) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine
PubChem CID146477525
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine
SMILESCN1CCC2(CC1)CS(=O)(=O)c1ncccc1[C@H]2N
InChIInChI=1S/C13H19N3O2S/c1-16-7-4-13(5-8-16)9-19(17,18)12-10(11(13)14)3-2-6-15-12/h2-3,6,11H,4-5,7-9,14H2,1H3/t11-/m1/s1
InChIKeyZNBRKGHGHQDUBM-LLVKDONJSA-N
XLogP0.58
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-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 (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine?
The IUPAC name of (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine (CID 146477525) is (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine is CN1CCC2(CC1)CS(=O)(=O)c1ncccc1[C@H]2N.
What is the InChIKey of (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine?
The InChIKey is ZNBRKGHGHQDUBM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16-7-4-13(5-8-16)9-19(17,18)12-10(11(13)14)3-2-6-15-12/h2-3,6,11H,4-5,7-9,14H2,1H3/t11-/m1/s1.
What are the key properties of (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine?
(4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine has a molecular weight of 281.38 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-methyl-1,1-dioxospiro[2,4-dihydrothiopyrano[2,3-b]pyridine-3,4'-piperidine]-4-amine is sourced from PubChem (CID 146477525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).