2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide

C16H24N2OS — CID 81306521

IUPAC2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide
SMILESCCC1CCC(Nc2cc(OC)ccc2C(N)=S)C1C
InChIInChI=1S/C16H24N2OS/c1-4-11-5-8-14(10(11)2)18-15-9-12(19-3)6-7-13(15)16(17)20/h6-7,9-11,14,18H,4-5,8H2,1-3H3,(H2,17,20)
InChIKeyYLNGRFIFIKRYBC-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.57
Rot. Bonds5

About 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide

2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide (PubChem CID 81306521) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide
PubChem CID81306521
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide
SMILESCCC1CCC(Nc2cc(OC)ccc2C(N)=S)C1C
InChIInChI=1S/C16H24N2OS/c1-4-11-5-8-14(10(11)2)18-15-9-12(19-3)6-7-13(15)16(17)20/h6-7,9-11,14,18H,4-5,8H2,1-3H3,(H2,17,20)
InChIKeyYLNGRFIFIKRYBC-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethylcyclohexyl)amino]-4-methoxybenzenecarbothioamide
CID 81306267
N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
CID 106538857
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
2-[(2-ethylcyclohexyl)amino]-4-methylbenzenecarbothioamide
CID 55224049
4-bromo-2-[(2-ethylcyclohexyl)amino]benzenecarbothioamide
CID 114902918
2-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzenecarbothioamide
CID 81306093
2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
CID 81297349
2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
CID 83016164
4-methoxy-2-(pentan-2-ylamino)benzenecarbothioamide
CID 81306230
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 64920923
2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
CID 81306826

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide (CID 81306521) is 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide is CCC1CCC(Nc2cc(OC)ccc2C(N)=S)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide?
The InChIKey is YLNGRFIFIKRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-11-5-8-14(10(11)2)18-15-9-12(19-3)6-7-13(15)16(17)20/h6-7,9-11,14,18H,4-5,8H2,1-3H3,(H2,17,20).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide?
2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide has a molecular weight of 292.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 81306521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).