10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide

C15H20ClN3O3S — CID 110633110

IUPAC10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3C2C1
InChIInChI=1S/C15H20ClN3O3S/c1-2-6-17-23(21,22)18-9-14-13-8-12(16)4-3-11(13)5-7-19(14)15(20)10-18/h3-4,8,14,17H,2,5-7,9-10H2,1H3
InChIKeyJRFWZGZIMLNVKT-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.33
Rot. Bonds4

About 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide

10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide (PubChem CID 110633110) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
PubChem CID110633110
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3C2C1
InChIInChI=1S/C15H20ClN3O3S/c1-2-6-17-23(21,22)18-9-14-13-8-12(16)4-3-11(13)5-7-19(14)15(20)10-18/h3-4,8,14,17H,2,5-7,9-10H2,1H3
InChIKeyJRFWZGZIMLNVKT-UHFFFAOYSA-N
XLogP1.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The IUPAC name of 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide (CID 110633110) is 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide.
What is the SMILES notation for 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The canonical SMILES for 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide is CCCNS(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3C2C1.
What is the InChIKey of 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The InChIKey is JRFWZGZIMLNVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c1-2-6-17-23(21,22)18-9-14-13-8-12(16)4-3-11(13)5-7-19(14)15(20)10-18/h3-4,8,14,17H,2,5-7,9-10H2,1H3.
What are the key properties of 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide has a molecular weight of 357.86 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide is sourced from PubChem (CID 110633110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).