1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea

C11H21N3OS — CID 7934500

IUPAC1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea
SMILESCOCCNC(=S)NN=C1CCC(C)CC1
InChIInChI=1S/C11H21N3OS/c1-9-3-5-10(6-4-9)13-14-11(16)12-7-8-15-2/h9H,3-8H2,1-2H3,(H2,12,14,16)/b13-10-
InChIKeySRDLETKBSYJQEY-RAXLEYEMSA-N
MW243.38 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea

1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea (PubChem CID 7934500) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea
PubChem CID7934500
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea
SMILESCOCCNC(=S)NN=C1CCC(C)CC1
InChIInChI=1S/C11H21N3OS/c1-9-3-5-10(6-4-9)13-14-11(16)12-7-8-15-2/h9H,3-8H2,1-2H3,(H2,12,14,16)/b13-10-
InChIKeySRDLETKBSYJQEY-RAXLEYEMSA-N
XLogP1.66
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-(2-methoxyethyl)-3-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]thiourea
CID 7689651
1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea
CID 9410666
1-(4-methoxyphenyl)-3-[(4-methylcyclohexylidene)amino]thiourea
CID 7934003
1-(2-methoxyethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 6038171
1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea
CID 115577098
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-(2-methoxyethyl)-3-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]thiourea
CID 7945405
1-[(Z)-1-(4-chlorophenyl)propylideneamino]-3-(2-methoxyethyl)thiourea
CID 7934514
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
CID 115880253
1-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934244

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea (CID 7934500) is 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea is COCCNC(=S)NN=C1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea?
The InChIKey is SRDLETKBSYJQEY-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9-3-5-10(6-4-9)13-14-11(16)12-7-8-15-2/h9H,3-8H2,1-2H3,(H2,12,14,16)/b13-10-.
What are the key properties of 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea?
1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea has a molecular weight of 243.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 7934500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).