3-(N-ethylanilino)-2-methylpropanethioamide

C12H18N2S — CID 43367738

IUPAC3-(N-ethylanilino)-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)c1ccccc1
InChIInChI=1S/C12H18N2S/c1-3-14(9-10(2)12(13)15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,13,15)
InChIKeyGXSCXKCKYSIAMQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.44
Rot. Bonds5

About 3-(N-ethylanilino)-2-methylpropanethioamide

3-(N-ethylanilino)-2-methylpropanethioamide (PubChem CID 43367738) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-(N-ethylanilino)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(N-ethylanilino)-2-methylpropanethioamide
PubChem CID43367738
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3-(N-ethylanilino)-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)c1ccccc1
InChIInChI=1S/C12H18N2S/c1-3-14(9-10(2)12(13)15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,13,15)
InChIKeyGXSCXKCKYSIAMQ-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
ethenyl 3-(N-ethylanilino)-2-methylpropanoate
CID 67266784
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
CID 161146216
CID 161146216
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
CID 63483365
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-2-methylpropanethioamide?
The IUPAC name of 3-(N-ethylanilino)-2-methylpropanethioamide (CID 43367738) is 3-(N-ethylanilino)-2-methylpropanethioamide.
What is the SMILES notation for 3-(N-ethylanilino)-2-methylpropanethioamide?
The canonical SMILES for 3-(N-ethylanilino)-2-methylpropanethioamide is CCN(CC(C)C(N)=S)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-2-methylpropanethioamide?
The InChIKey is GXSCXKCKYSIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-14(9-10(2)12(13)15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,13,15).
What are the key properties of 3-(N-ethylanilino)-2-methylpropanethioamide?
3-(N-ethylanilino)-2-methylpropanethioamide has a molecular weight of 222.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-2-methylpropanethioamide is sourced from PubChem (CID 43367738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).