4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide

C15H24N2OS — CID 81276883

IUPAC4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
SMILESCOCCN(CC(C)C)c1ccc(C(N)=S)c(C)c1
InChIInChI=1S/C15H24N2OS/c1-11(2)10-17(7-8-18-4)13-5-6-14(15(16)19)12(3)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H2,16,19)
InChIKeyGXPPBRIQHNQYGT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.74
Rot. Bonds7

About 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide

4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide (PubChem CID 81276883) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
PubChem CID81276883
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
SMILESCOCCN(CC(C)C)c1ccc(C(N)=S)c(C)c1
InChIInChI=1S/C15H24N2OS/c1-11(2)10-17(7-8-18-4)13-5-6-14(15(16)19)12(3)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H2,16,19)
InChIKeyGXPPBRIQHNQYGT-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
4-(dipropylamino)-2-methylbenzenecarbothioamide
CID 81278412
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
methyl 3-(4-carbamothioyl-N,3-dimethylanilino)-2-methylpropanoate
CID 81277047
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
4-[ethyl(2-methylpropyl)amino]-2-fluorobenzenecarbothioamide
CID 113295805
4-[2-methoxyethyl(propan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 82938869
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481829
2-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 62285332
2-methoxy-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 106788809
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide?
The IUPAC name of 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide (CID 81276883) is 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide.
What is the SMILES notation for 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide?
The canonical SMILES for 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide is COCCN(CC(C)C)c1ccc(C(N)=S)c(C)c1.
What is the InChIKey of 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide?
The InChIKey is GXPPBRIQHNQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)10-17(7-8-18-4)13-5-6-14(15(16)19)12(3)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H2,16,19).
What are the key properties of 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide?
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide has a molecular weight of 280.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide is sourced from PubChem (CID 81276883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).