(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide

C14H19NO2S — CID 135056951

IUPAC(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C1\CCCc2ccccc21
InChIInChI=1S/C14H19NO2S/c1-14(2,3)18(16,17)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9H,6,8,10H2,1-3H3/b15-13+
InChIKeyFFQCGQSUVLYAMR-FYWRMAATSA-N
MW265.38 g/mol
LogP2.94
Rot. Bonds1

About (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide

(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide (PubChem CID 135056951) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide
PubChem CID135056951
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C1\CCCc2ccccc21
InChIInChI=1S/C14H19NO2S/c1-14(2,3)18(16,17)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9H,6,8,10H2,1-3H3/b15-13+
InChIKeyFFQCGQSUVLYAMR-FYWRMAATSA-N
XLogP2.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.94
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 (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide?
The IUPAC name of (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide (CID 135056951) is (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide?
The canonical SMILES for (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)/N=C1\CCCc2ccccc21.
What is the InChIKey of (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide?
The InChIKey is FFQCGQSUVLYAMR-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(2,3)18(16,17)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9H,6,8,10H2,1-3H3/b15-13+.
What are the key properties of (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide?
(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 135056951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).