2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine

C14H20N4S — CID 168591988

IUPAC2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C14H20N4S/c15-14(16)18-17-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H4,15,16,18)
InChIKeyYXZPPCFSGHDOTF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.72
Rot. Bonds4

About 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine

2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine (PubChem CID 168591988) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine
PubChem CID168591988
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C14H20N4S/c15-14(16)18-17-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H4,15,16,18)
InChIKeyYXZPPCFSGHDOTF-UHFFFAOYSA-N
XLogP2.72
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine (CID 168591988) is 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine?
The InChIKey is YXZPPCFSGHDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c15-14(16)18-17-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H4,15,16,18).
What are the key properties of 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine?
2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine has a molecular weight of 276.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).