5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide

C16H24N2OS — CID 65339590

IUPAC5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
SMILESCCN(Cc1ccc(OC)c(C(N)=S)c1)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-3-18(13-6-4-5-7-13)11-12-8-9-15(19-2)14(10-12)16(17)20/h8-10,13H,3-7,11H2,1-2H3,(H2,17,20)
InChIKeyOPDFCLVQZQUNGS-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds6

About 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide

5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide (PubChem CID 65339590) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
PubChem CID65339590
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
SMILESCCN(Cc1ccc(OC)c(C(N)=S)c1)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-3-18(13-6-4-5-7-13)11-12-8-9-15(19-2)14(10-12)16(17)20/h8-10,13H,3-7,11H2,1-2H3,(H2,17,20)
InChIKeyOPDFCLVQZQUNGS-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
CID 60687002
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
4-[[cyclopentyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788720
4-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788723
4-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788695
5-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 65344143
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
2-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methoxybenzenecarbothioamide
CID 65339067

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide?
The IUPAC name of 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide (CID 65339590) is 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide.
What is the SMILES notation for 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide?
The canonical SMILES for 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide is CCN(Cc1ccc(OC)c(C(N)=S)c1)C1CCCC1.
What is the InChIKey of 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide?
The InChIKey is OPDFCLVQZQUNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-18(13-6-4-5-7-13)11-12-8-9-15(19-2)14(10-12)16(17)20/h8-10,13H,3-7,11H2,1-2H3,(H2,17,20).
What are the key properties of 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide?
5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide has a molecular weight of 292.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide is sourced from PubChem (CID 65339590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).