N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide

C14H19NO2S — CID 135715510

IUPACN-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide
SMILESCOc1cccc(C(=S)NC2CCCCC2)c1O
InChIInChI=1S/C14H19NO2S/c1-17-12-9-5-8-11(13(12)16)14(18)15-10-6-3-2-4-7-10/h5,8-10,16H,2-4,6-7H2,1H3,(H,15,18)
InChIKeyHHBMXIIDJGTZSE-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.00
Rot. Bonds3

About N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide

N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide (PubChem CID 135715510) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide
PubChem CID135715510
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide
SMILESCOc1cccc(C(=S)NC2CCCCC2)c1O
InChIInChI=1S/C14H19NO2S/c1-17-12-9-5-8-11(13(12)16)14(18)15-10-6-3-2-4-7-10/h5,8-10,16H,2-4,6-7H2,1H3,(H,15,18)
InChIKeyHHBMXIIDJGTZSE-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.00
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-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100983
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide (CID 135715510) is N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide is COc1cccc(C(=S)NC2CCCCC2)c1O.
What is the InChIKey of N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide?
The InChIKey is HHBMXIIDJGTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-12-9-5-8-11(13(12)16)14(18)15-10-6-3-2-4-7-10/h5,8-10,16H,2-4,6-7H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide?
N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide has a molecular weight of 265.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide is sourced from PubChem (CID 135715510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).