ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline

C12H19NOS — CID 144805204

IUPACethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline
SMILESC=C.COc1cc(SC)ccc1N(C)C
InChIInChI=1S/C10H15NOS.C2H4/c1-11(2)9-6-5-8(13-4)7-10(9)12-3;1-2/h5-7H,1-4H3;1-2H2
InChIKeySUCFOGZYLLDWIC-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.29
Rot. Bonds3

About ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline

ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline (PubChem CID 144805204) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline.

Molecular Properties

Compound Nameethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline
PubChem CID144805204
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Nameethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline
SMILESC=C.COc1cc(SC)ccc1N(C)C
InChIInChI=1S/C10H15NOS.C2H4/c1-11(2)9-6-5-8(13-4)7-10(9)12-3;1-2/h5-7H,1-4H3;1-2H2
InChIKeySUCFOGZYLLDWIC-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-methylsulfanylphenol
CID 11423824
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
2-methoxy-4-methylsulfanylbenzonitrile
CID 91881052
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
CID 117304523
2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
CID 2915555
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373

Frequently Asked Questions

What is the IUPAC name of ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline?
The IUPAC name of ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline (CID 144805204) is ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline.
What is the SMILES notation for ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline?
The canonical SMILES for ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline is C=C.COc1cc(SC)ccc1N(C)C.
What is the InChIKey of ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline?
The InChIKey is SUCFOGZYLLDWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.C2H4/c1-11(2)9-6-5-8(13-4)7-10(9)12-3;1-2/h5-7H,1-4H3;1-2H2.
What are the key properties of ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline?
ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline has a molecular weight of 225.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline is sourced from PubChem (CID 144805204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).