(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

C15H19N3S — CID 43599525

IUPAC(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESNC1CC[C@@H]2CN(c3nccc4sccc34)C[C@@H]2C1
InChIInChI=1S/C15H19N3S/c16-12-2-1-10-8-18(9-11(10)7-12)15-13-4-6-19-14(13)3-5-17-15/h3-6,10-12H,1-2,7-9,16H2/t10-,11+,12?/m1/s1
InChIKeyMTRXBVAGUJPCQF-UBNQGINQSA-N
MW273.40 g/mol
LogP2.86
Rot. Bonds1

About (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (PubChem CID 43599525) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.

Molecular Properties

Compound Name(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
PubChem CID43599525
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESNC1CC[C@@H]2CN(c3nccc4sccc34)C[C@@H]2C1
InChIInChI=1S/C15H19N3S/c16-12-2-1-10-8-18(9-11(10)7-12)15-13-4-6-19-14(13)3-5-17-15/h3-6,10-12H,1-2,7-9,16H2/t10-,11+,12?/m1/s1
InChIKeyMTRXBVAGUJPCQF-UBNQGINQSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-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

1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine
CID 165435561
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
(3aR,7aS)-2-quinazolin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 61142833
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 102961165
4-(4-bromo-3-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 114682808
3-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-1-methylpyrazin-2-one
CID 62940977
(3aR,7aS)-2-(3-nitro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43599513

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The IUPAC name of (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (CID 43599525) is (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.
What is the SMILES notation for (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The canonical SMILES for (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is NC1CC[C@@H]2CN(c3nccc4sccc34)C[C@@H]2C1.
What is the InChIKey of (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The InChIKey is MTRXBVAGUJPCQF-UBNQGINQSA-N. The full InChI is InChI=1S/C15H19N3S/c16-12-2-1-10-8-18(9-11(10)7-12)15-13-4-6-19-14(13)3-5-17-15/h3-6,10-12H,1-2,7-9,16H2/t10-,11+,12?/m1/s1.
What are the key properties of (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine has a molecular weight of 273.40 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is sourced from PubChem (CID 43599525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).