2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal

C14H20N2OS — CID 144523007

IUPAC2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal
SMILESC/C=N/c1c(C)cccc1SN(C)C(C)(C)C=O
InChIInChI=1S/C14H20N2OS/c1-6-15-13-11(2)8-7-9-12(13)18-16(5)14(3,4)10-17/h6-10H,1-5H3/b15-6+
InChIKeyGJHVJNYJBAKYRU-GIDUJCDVSA-N
MW264.39 g/mol
LogP3.63
Rot. Bonds5

About 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal

2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal (PubChem CID 144523007) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal.

Molecular Properties

Compound Name2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal
PubChem CID144523007
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal
SMILESC/C=N/c1c(C)cccc1SN(C)C(C)(C)C=O
InChIInChI=1S/C14H20N2OS/c1-6-15-13-11(2)8-7-9-12(13)18-16(5)14(3,4)10-17/h6-10H,1-5H3/b15-6+
InChIKeyGJHVJNYJBAKYRU-GIDUJCDVSA-N
XLogP3.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal?
The IUPAC name of 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal (CID 144523007) is 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal.
What is the SMILES notation for 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal?
The canonical SMILES for 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal is C/C=N/c1c(C)cccc1SN(C)C(C)(C)C=O.
What is the InChIKey of 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal?
The InChIKey is GJHVJNYJBAKYRU-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-6-15-13-11(2)8-7-9-12(13)18-16(5)14(3,4)10-17/h6-10H,1-5H3/b15-6+.
What are the key properties of 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal?
2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal has a molecular weight of 264.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal is sourced from PubChem (CID 144523007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).