(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide

C15H17NOS — CID 134999374

IUPAC(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1cccc2ccccc12
InChIInChI=1S/C15H17NOS/c1-15(2,3)18(17)16-11-13-9-6-8-12-7-4-5-10-14(12)13/h4-11H,1-3H3/b16-11+
InChIKeyJDDGAGPKEGIXSR-LFIBNONCSA-N
MW259.37 g/mol
LogP3.72
Rot. Bonds2

About (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide

(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide (PubChem CID 134999374) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide
PubChem CID134999374
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1cccc2ccccc12
InChIInChI=1S/C15H17NOS/c1-15(2,3)18(17)16-11-13-9-6-8-12-7-4-5-10-14(12)13/h4-11H,1-3H3/b16-11+
InChIKeyJDDGAGPKEGIXSR-LFIBNONCSA-N
XLogP3.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide (CID 134999374) is (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide is CC(C)(C)S(=O)/N=C/c1cccc2ccccc12.
What is the InChIKey of (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide?
The InChIKey is JDDGAGPKEGIXSR-LFIBNONCSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(2,3)18(17)16-11-13-9-6-8-12-7-4-5-10-14(12)13/h4-11H,1-3H3/b16-11+.
What are the key properties of (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide?
(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide has a molecular weight of 259.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 134999374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).