2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide

C13H15N3OS — CID 139413501

IUPAC2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cnc2ccccc2n1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)18(17)15-9-10-8-14-11-6-4-5-7-12(11)16-10/h4-9H,1-3H3
InChIKeyNMVMBDOADKZJPN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.51
Rot. Bonds2

About 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide

2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide (PubChem CID 139413501) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
PubChem CID139413501
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cnc2ccccc2n1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)18(17)15-9-10-8-14-11-6-4-5-7-12(11)16-10/h4-9H,1-3H3
InChIKeyNMVMBDOADKZJPN-UHFFFAOYSA-N
XLogP2.51
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide (CID 139413501) is 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1cnc2ccccc2n1.
What is the InChIKey of 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide?
The InChIKey is NMVMBDOADKZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-13(2,3)18(17)15-9-10-8-14-11-6-4-5-7-12(11)16-10/h4-9H,1-3H3.
What are the key properties of 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide?
2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide has a molecular weight of 261.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 139413501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).