N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine

C12H18N2S — CID 131888586

IUPACN-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine
SMILESCCSC(C=NN(C)C)c1ccccc1
InChIInChI=1S/C12H18N2S/c1-4-15-12(10-13-14(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3
InChIKeyZNYJMRDZXXHQDP-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.03
Rot. Bonds5

About N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine

N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine (PubChem CID 131888586) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine
PubChem CID131888586
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine
SMILESCCSC(C=NN(C)C)c1ccccc1
InChIInChI=1S/C12H18N2S/c1-4-15-12(10-13-14(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3
InChIKeyZNYJMRDZXXHQDP-UHFFFAOYSA-N
XLogP3.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
CID 134905620
ethane;1-ethylsulfanylethylbenzene
CID 91185856
2-ethylsulfanyl-1,2-diphenylethanol
CID 11242365
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
(1-ethylsulfanyl-3-methylbut-3-enyl)benzene
CID 142058363
2-ethylsulfanyl-N-methyl-2-phenylethanamine
CID 62577533
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
2-[(4-ethylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 3028321
(4R,5S)-5-ethylsulfanyl-4,5-diphenylpent-1-en-3-one
CID 162807530
ethylsulfanyl-[(1S)-1-phenylprop-2-enyl]sulfanylmethanone
CID 102006743
1-ethylsulfanyl-1,3-diphenylpropane-2-thione
CID 173258078

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine?
The IUPAC name of N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine (CID 131888586) is N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine.
What is the SMILES notation for N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine?
The canonical SMILES for N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine is CCSC(C=NN(C)C)c1ccccc1.
What is the InChIKey of N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine?
The InChIKey is ZNYJMRDZXXHQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-4-15-12(10-13-14(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3.
What are the key properties of N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine?
N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine has a molecular weight of 222.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 131888586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).