[(3-methoxycyclohexylidene)amino]thiourea

C8H15N3OS — CID 106874576

IUPAC[(3-methoxycyclohexylidene)amino]thiourea
SMILESCOC1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C8H15N3OS/c1-12-7-4-2-3-6(5-7)10-11-8(9)13/h7H,2-5H2,1H3,(H3,9,11,13)
InChIKeyQQCOIFGWBXPUNU-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.76
Rot. Bonds2

About [(3-methoxycyclohexylidene)amino]thiourea

[(3-methoxycyclohexylidene)amino]thiourea (PubChem CID 106874576) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is [(3-methoxycyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(3-methoxycyclohexylidene)amino]thiourea
PubChem CID106874576
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name[(3-methoxycyclohexylidene)amino]thiourea
SMILESCOC1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C8H15N3OS/c1-12-7-4-2-3-6(5-7)10-11-8(9)13/h7H,2-5H2,1H3,(H3,9,11,13)
InChIKeyQQCOIFGWBXPUNU-UHFFFAOYSA-N
XLogP0.76
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
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

(1-Cyclohexyloxypropan-2-ylideneamino)thiourea
CID 4651419
[(Z)-(2-propyloxan-4-ylidene)amino]thiourea
CID 65211951
[(2-Ethyloxan-4-ylidene)amino]thiourea
CID 77059944
[(2-Methyloxan-4-ylidene)amino]thiourea
CID 77060061
[(2-Propyloxan-4-ylidene)amino]thiourea
CID 77060121
[(2,6-Dimethyloxan-4-ylidene)amino]thiourea
CID 81854151
[(4-Methoxycyclohexylidene)amino]thiourea
CID 104459437
[(2-Methoxycyclohexylidene)amino]thiourea
CID 106874575
[(Z)-(2-hydroxycyclohexylidene)amino]thiourea
CID 133668655

Frequently Asked Questions

What is the IUPAC name of [(3-methoxycyclohexylidene)amino]thiourea?
The IUPAC name of [(3-methoxycyclohexylidene)amino]thiourea (CID 106874576) is [(3-methoxycyclohexylidene)amino]thiourea.
What is the SMILES notation for [(3-methoxycyclohexylidene)amino]thiourea?
The canonical SMILES for [(3-methoxycyclohexylidene)amino]thiourea is COC1CCCC(=NNC(N)=S)C1.
What is the InChIKey of [(3-methoxycyclohexylidene)amino]thiourea?
The InChIKey is QQCOIFGWBXPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-12-7-4-2-3-6(5-7)10-11-8(9)13/h7H,2-5H2,1H3,(H3,9,11,13).
What are the key properties of [(3-methoxycyclohexylidene)amino]thiourea?
[(3-methoxycyclohexylidene)amino]thiourea has a molecular weight of 201.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxycyclohexylidene)amino]thiourea is sourced from PubChem (CID 106874576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).