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

C14H18ClN3O3S — CID 110294860

IUPAC10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3C2C1
InChIInChI=1S/C14H18ClN3O3S/c1-16(2)22(20,21)17-8-13-12-7-11(15)4-3-10(12)5-6-18(13)14(19)9-17/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyBDYFTAPVUHKHPU-UHFFFAOYSA-N
MW343.84 g/mol
LogP0.89
Rot. Bonds2

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

10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide (PubChem CID 110294860) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
PubChem CID110294860
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3C2C1
InChIInChI=1S/C14H18ClN3O3S/c1-16(2)22(20,21)17-8-13-12-7-11(15)4-3-10(12)5-6-18(13)14(19)9-17/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyBDYFTAPVUHKHPU-UHFFFAOYSA-N
XLogP0.89
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The IUPAC name of 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide (CID 110294860) is 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide.
What is the SMILES notation for 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The canonical SMILES for 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide is CN(C)S(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3C2C1.
What is the InChIKey of 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The InChIKey is BDYFTAPVUHKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-16(2)22(20,21)17-8-13-12-7-11(15)4-3-10(12)5-6-18(13)14(19)9-17/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide has a molecular weight of 343.84 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-N,N-dimethyl-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide is sourced from PubChem (CID 110294860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).