[(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea

C8H15N3S — CID 139082344

IUPAC[(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea
SMILESC[C@@H]1CCCC/C1=N\NC(N)=S
InChIInChI=1S/C8H15N3S/c1-6-4-2-3-5-7(6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+/t6-/m1/s1
InChIKeyOVLKCVUMOSOVAE-RSCIBMLMSA-N
MW185.30 g/mol
LogP1.39
Rot. Bonds1

About [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea

[(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea (PubChem CID 139082344) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea.

Molecular Properties

Compound Name[(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea
PubChem CID139082344
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name[(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea
SMILESC[C@@H]1CCCC/C1=N\NC(N)=S
InChIInChI=1S/C8H15N3S/c1-6-4-2-3-5-7(6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+/t6-/m1/s1
InChIKeyOVLKCVUMOSOVAE-RSCIBMLMSA-N
XLogP1.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-[1-(1-methylcyclohexyl)ethylidene]hydrazinecarbothioamide
CID 9616533
2-(Cyclohexylmethylidene)hydrazine-1-carbothioamide
CID 9583259
2-Hexyl-1-cyclopentanone thiosemicarbazone
CID 2835896
[(4,4-Dimethylcyclohexylidene)amino]thiourea
CID 3547965
2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide
CID 4438828
4-Cyclohexyl-4-methyl-2-pentanone thiosemicarbazone
CID 5941975
ethane;[(E)-(2-hexylcyclopentylidene)amino]thiourea
CID 46897918
[(4-Cyclohexylcyclohexylidene)amino]thiourea
CID 3898767
2-(1-Cyclododecylethylidene)Hydrazinecarbothioamide
CID 9609685
[(2-Hexylcyclopentylidene)amino]thiourea
CID 9585336
[(E)-[3-(trifluoromethyl)cyclohexylidene]amino]thiourea
CID 6383686
3-Methylcyclohexanone thiosemicarbazone
CID 74405055

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea?
The IUPAC name of [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea (CID 139082344) is [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea.
What is the SMILES notation for [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea?
The canonical SMILES for [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea is C[C@@H]1CCCC/C1=N\NC(N)=S.
What is the InChIKey of [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea?
The InChIKey is OVLKCVUMOSOVAE-RSCIBMLMSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-4-2-3-5-7(6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+/t6-/m1/s1.
What are the key properties of [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea?
[(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea has a molecular weight of 185.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R)-2-methylcyclohexylidene]amino]thiourea is sourced from PubChem (CID 139082344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).