N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

C15H21N3O3S — CID 56758862

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCN1CCN2C[C@@H](NC(=O)c3scc4c3OCCO4)C[C@H]2C1
InChIInChI=1S/C15H21N3O3S/c1-17-2-3-18-7-10(6-11(18)8-17)16-15(19)14-13-12(9-22-14)20-4-5-21-13/h9-11H,2-8H2,1H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyUVYFTXJZRZWTCX-QWRGUYRKSA-N
MW323.42 g/mol
LogP0.64
Rot. Bonds2

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (PubChem CID 56758862) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
PubChem CID56758862
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCN1CCN2C[C@@H](NC(=O)c3scc4c3OCCO4)C[C@H]2C1
InChIInChI=1S/C15H21N3O3S/c1-17-2-3-18-7-10(6-11(18)8-17)16-15(19)14-13-12(9-22-14)20-4-5-21-13/h9-11H,2-8H2,1H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyUVYFTXJZRZWTCX-QWRGUYRKSA-N
XLogP0.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (CID 56758862) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is CN1CCN2C[C@@H](NC(=O)c3scc4c3OCCO4)C[C@H]2C1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The InChIKey is UVYFTXJZRZWTCX-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17-2-3-18-7-10(6-11(18)8-17)16-15(19)14-13-12(9-22-14)20-4-5-21-13/h9-11H,2-8H2,1H3,(H,16,19)/t10-,11-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is sourced from PubChem (CID 56758862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).