(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

C15H20N2O2S — CID 178049101

IUPAC(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc2[nH]c(/C(C)=N/S(=O)C(C)(C)C)cc2c1
InChIInChI=1S/C15H20N2O2S/c1-10(17-20(18)15(2,3)4)14-9-11-8-12(19-5)6-7-13(11)16-14/h6-9,16H,1-5H3/b17-10+
InChIKeyVRNFHYYRWACFKH-LICLKQGHSA-N
MW292.40 g/mol
LogP3.45
Rot. Bonds3

About (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 178049101) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID178049101
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc2[nH]c(/C(C)=N/S(=O)C(C)(C)C)cc2c1
InChIInChI=1S/C15H20N2O2S/c1-10(17-20(18)15(2,3)4)14-9-11-8-12(19-5)6-7-13(11)16-14/h6-9,16H,1-5H3/b17-10+
InChIKeyVRNFHYYRWACFKH-LICLKQGHSA-N
XLogP3.45
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 41145274
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine
CID 142217244

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 178049101) is (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is COc1ccc2[nH]c(/C(C)=N/S(=O)C(C)(C)C)cc2c1.
What is the InChIKey of (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is VRNFHYYRWACFKH-LICLKQGHSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(17-20(18)15(2,3)4)14-9-11-8-12(19-5)6-7-13(11)16-14/h6-9,16H,1-5H3/b17-10+.
What are the key properties of (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 292.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178049101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).