(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

C15H25N3OS — CID 134689422

IUPAC(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCc1ncsc1CN1C[C@H]2CCCO[C@H]2[C@@H](N(C)C)C1
InChIInChI=1S/C15H25N3OS/c1-11-14(20-10-16-11)9-18-7-12-5-4-6-19-15(12)13(8-18)17(2)3/h10,12-13,15H,4-9H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyXWWIRRKUOMPHGH-VNHYZAJKSA-N
MW295.45 g/mol
LogP1.99
Rot. Bonds3

About (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 134689422) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID134689422
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCc1ncsc1CN1C[C@H]2CCCO[C@H]2[C@@H](N(C)C)C1
InChIInChI=1S/C15H25N3OS/c1-11-14(20-10-16-11)9-18-7-12-5-4-6-19-15(12)13(8-18)17(2)3/h10,12-13,15H,4-9H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyXWWIRRKUOMPHGH-VNHYZAJKSA-N
XLogP1.99
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The IUPAC name of (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 134689422) is (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.
What is the SMILES notation for (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The canonical SMILES for (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is Cc1ncsc1CN1C[C@H]2CCCO[C@H]2[C@@H](N(C)C)C1.
What is the InChIKey of (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is XWWIRRKUOMPHGH-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11-14(20-10-16-11)9-18-7-12-5-4-6-19-15(12)13(8-18)17(2)3/h10,12-13,15H,4-9H2,1-3H3/t12-,13+,15-/m1/s1.
What are the key properties of (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine has a molecular weight of 295.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is sourced from PubChem (CID 134689422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).