(NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide

C13H16N2O2S — CID 177490058

IUPAC(NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide
SMILESCN1C(=O)/C(=N\S(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)18(17)14-11-9-7-5-6-8-10(9)15(4)12(11)16/h5-8H,1-4H3/b14-11-
InChIKeyRSXWUNYQRBNOCG-KAMYIIQDSA-N
MW264.35 g/mol
LogP1.91
Rot. Bonds1

About (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide

(NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide (PubChem CID 177490058) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide
PubChem CID177490058
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide
SMILESCN1C(=O)/C(=N\S(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)18(17)14-11-9-7-5-6-8-10(9)15(4)12(11)16/h5-8H,1-4H3/b14-11-
InChIKeyRSXWUNYQRBNOCG-KAMYIIQDSA-N
XLogP1.91
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide?
The IUPAC name of (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide (CID 177490058) is (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide.
What is the SMILES notation for (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide?
The canonical SMILES for (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide is CN1C(=O)/C(=N\S(=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide?
The InChIKey is RSXWUNYQRBNOCG-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2,3)18(17)14-11-9-7-5-6-8-10(9)15(4)12(11)16/h5-8H,1-4H3/b14-11-.
What are the key properties of (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide?
(NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide has a molecular weight of 264.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-2-methyl-N-(1-methyl-2-oxoindol-3-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 177490058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).