4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline

C9H14N2O2S — CID 156576071

IUPAC4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline
SMILESCOc1cc(N=S(C)(C)=O)ccc1N
InChIInChI=1S/C9H14N2O2S/c1-13-9-6-7(4-5-8(9)10)11-14(2,3)12/h4-6H,10H2,1-3H3
InChIKeyPYUVLHNIOFPVIO-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.64
Rot. Bonds2

About 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline

4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline (PubChem CID 156576071) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline.

Molecular Properties

Compound Name4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline
PubChem CID156576071
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline
SMILESCOc1cc(N=S(C)(C)=O)ccc1N
InChIInChI=1S/C9H14N2O2S/c1-13-9-6-7(4-5-8(9)10)11-14(2,3)12/h4-6H,10H2,1-3H3
InChIKeyPYUVLHNIOFPVIO-UHFFFAOYSA-N
XLogP1.64
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline?
The IUPAC name of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline (CID 156576071) is 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline.
What is the SMILES notation for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline?
The canonical SMILES for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline is COc1cc(N=S(C)(C)=O)ccc1N.
What is the InChIKey of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline?
The InChIKey is PYUVLHNIOFPVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-9-6-7(4-5-8(9)10)11-14(2,3)12/h4-6H,10H2,1-3H3.
What are the key properties of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline?
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline has a molecular weight of 214.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline is sourced from PubChem (CID 156576071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).