[1-(1-methylcyclohexyl)ethylideneamino]thiourea

C10H19N3S — CID 916989

IUPAC[1-(1-methylcyclohexyl)ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)C1(C)CCCCC1
InChIInChI=1S/C10H19N3S/c1-8(12-13-9(11)14)10(2)6-4-3-5-7-10/h3-7H2,1-2H3,(H3,11,13,14)
InChIKeyAMNIXZXHVQGDCK-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.17
Rot. Bonds2

About [1-(1-methylcyclohexyl)ethylideneamino]thiourea

[1-(1-methylcyclohexyl)ethylideneamino]thiourea (PubChem CID 916989) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is [1-(1-methylcyclohexyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[1-(1-methylcyclohexyl)ethylideneamino]thiourea
PubChem CID916989
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name[1-(1-methylcyclohexyl)ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)C1(C)CCCCC1
InChIInChI=1S/C10H19N3S/c1-8(12-13-9(11)14)10(2)6-4-3-5-7-10/h3-7H2,1-2H3,(H3,11,13,14)
InChIKeyAMNIXZXHVQGDCK-UHFFFAOYSA-N
XLogP2.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylcyclohexyl)ethylideneamino]thiourea?
The IUPAC name of [1-(1-methylcyclohexyl)ethylideneamino]thiourea (CID 916989) is [1-(1-methylcyclohexyl)ethylideneamino]thiourea.
What is the SMILES notation for [1-(1-methylcyclohexyl)ethylideneamino]thiourea?
The canonical SMILES for [1-(1-methylcyclohexyl)ethylideneamino]thiourea is CC(=NNC(N)=S)C1(C)CCCCC1.
What is the InChIKey of [1-(1-methylcyclohexyl)ethylideneamino]thiourea?
The InChIKey is AMNIXZXHVQGDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(12-13-9(11)14)10(2)6-4-3-5-7-10/h3-7H2,1-2H3,(H3,11,13,14).
What are the key properties of [1-(1-methylcyclohexyl)ethylideneamino]thiourea?
[1-(1-methylcyclohexyl)ethylideneamino]thiourea has a molecular weight of 213.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylcyclohexyl)ethylideneamino]thiourea is sourced from PubChem (CID 916989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).