N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide

C19H23N3O4S — CID 144993912

IUPACN-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
SMILESCOc1c2n(c(CNS(=O)c3ccccc3)cc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C19H23N3O4S/c1-13(2)21-9-10-22-14(11-16(23)18(26-3)17(22)19(21)24)12-20-27(25)15-7-5-4-6-8-15/h4-8,11,13,20H,9-10,12H2,1-3H3
InChIKeyKNYJCHDMAXKNHC-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.53
Rot. Bonds6

About N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide

N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide (PubChem CID 144993912) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide.

Molecular Properties

Compound NameN-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
PubChem CID144993912
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
SMILESCOc1c2n(c(CNS(=O)c3ccccc3)cc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C19H23N3O4S/c1-13(2)21-9-10-22-14(11-16(23)18(26-3)17(22)19(21)24)12-20-27(25)15-7-5-4-6-8-15/h4-8,11,13,20H,9-10,12H2,1-3H3
InChIKeyKNYJCHDMAXKNHC-UHFFFAOYSA-N
XLogP1.53
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide?
The IUPAC name of N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide (CID 144993912) is N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide.
What is the SMILES notation for N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide?
The canonical SMILES for N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide is COc1c2n(c(CNS(=O)c3ccccc3)cc1=O)CCN(C(C)C)C2=O.
What is the InChIKey of N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide?
The InChIKey is KNYJCHDMAXKNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)21-9-10-22-14(11-16(23)18(26-3)17(22)19(21)24)12-20-27(25)15-7-5-4-6-8-15/h4-8,11,13,20H,9-10,12H2,1-3H3.
What are the key properties of N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide?
N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide has a molecular weight of 389.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide is sourced from PubChem (CID 144993912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).