2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide

C11H16N2S — CID 61414221

IUPAC2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
SMILESCc1cccc(CN(C)CC(N)=S)c1
InChIInChI=1S/C11H16N2S/c1-9-4-3-5-10(6-9)7-13(2)8-11(12)14/h3-6H,7-8H2,1-2H3,(H2,12,14)
InChIKeyYZCNPKLRSVZGBO-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.71
Rot. Bonds4

About 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide

2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide (PubChem CID 61414221) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
PubChem CID61414221
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
SMILESCc1cccc(CN(C)CC(N)=S)c1
InChIInChI=1S/C11H16N2S/c1-9-4-3-5-10(6-9)7-13(2)8-11(12)14/h3-6H,7-8H2,1-2H3,(H2,12,14)
InChIKeyYZCNPKLRSVZGBO-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.71
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

4-methyl-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62301586
3,3,3-trifluoro-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]propanethioamide
CID 103368571
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056
4-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114902862
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide?
The IUPAC name of 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide (CID 61414221) is 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide.
What is the SMILES notation for 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide?
The canonical SMILES for 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide is Cc1cccc(CN(C)CC(N)=S)c1.
What is the InChIKey of 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide?
The InChIKey is YZCNPKLRSVZGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-4-3-5-10(6-9)7-13(2)8-11(12)14/h3-6H,7-8H2,1-2H3,(H2,12,14).
What are the key properties of 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide?
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide has a molecular weight of 208.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide is sourced from PubChem (CID 61414221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).