(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide

C15H20N2OS — CID 18649768

IUPAC(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide
SMILESCNC(=S)C1(c2ccccc2)CCCC/C1=N\OC
InChIInChI=1S/C15H20N2OS/c1-16-14(19)15(12-8-4-3-5-9-12)11-7-6-10-13(15)17-18-2/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,19)/b17-13+
InChIKeyHGPBLUQPONVPNH-GHRIWEEISA-N
MW276.41 g/mol
LogP3.05
Rot. Bonds3

About (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide

(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide (PubChem CID 18649768) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide
PubChem CID18649768
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide
SMILESCNC(=S)C1(c2ccccc2)CCCC/C1=N\OC
InChIInChI=1S/C15H20N2OS/c1-16-14(19)15(12-8-4-3-5-9-12)11-7-6-10-13(15)17-18-2/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,19)/b17-13+
InChIKeyHGPBLUQPONVPNH-GHRIWEEISA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-(3,4-dichlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexane-1-carbothioamide
CID 18649766
(2Z)-2-[2-(dimethylamino)ethoxyimino]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 19876108
N-methyl-2-phenylmethoxyimino-1-quinolin-3-ylcyclohexane-1-carbothioamide
CID 54491759
(2Z)-2-hydroxyimino-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide
CID 19876073
N-methyl-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 54302302
2-[(4-cyanophenyl)methoxyimino]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 54373216
N-methyl-2-(naphthalen-2-ylmethoxyimino)-1-quinolin-3-ylcyclohexane-1-carbothioamide
CID 54080544
(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine
CID 138976612
(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
CID 6152169
1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
CID 89315326
(2Z)-2-[[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]methoxyimino]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 19876069
(2E)-2-(2-hydroxyethylidene)-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10039138

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide?
The IUPAC name of (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide (CID 18649768) is (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide?
The canonical SMILES for (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide is CNC(=S)C1(c2ccccc2)CCCC/C1=N\OC.
What is the InChIKey of (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide?
The InChIKey is HGPBLUQPONVPNH-GHRIWEEISA-N. The full InChI is InChI=1S/C15H20N2OS/c1-16-14(19)15(12-8-4-3-5-9-12)11-7-6-10-13(15)17-18-2/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,19)/b17-13+.
What are the key properties of (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide?
(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide has a molecular weight of 276.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide is sourced from PubChem (CID 18649768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).