1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine

C16H25N3S — CID 111676760

IUPAC1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
SMILESCC(C/N=C(\N)NC1CCCCC1)Sc1ccccc1
InChIInChI=1S/C16H25N3S/c1-13(20-15-10-6-3-7-11-15)12-18-16(17)19-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H3,17,18,19)
InChIKeyAWMYCJOYXIYABI-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.40
Rot. Bonds5

About 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine

1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine (PubChem CID 111676760) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
PubChem CID111676760
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
SMILESCC(C/N=C(\N)NC1CCCCC1)Sc1ccccc1
InChIInChI=1S/C16H25N3S/c1-13(20-15-10-6-3-7-11-15)12-18-16(17)19-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H3,17,18,19)
InChIKeyAWMYCJOYXIYABI-UHFFFAOYSA-N
XLogP3.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111495561
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
CID 122096278
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
1-(2-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
2-anilino-N'-(2-phenylsulfanylpropyl)ethanimidamide
CID 167488887
1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685305
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 119148332
1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679097
1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine
CID 111807518
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine (CID 111676760) is 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine is CC(C/N=C(\N)NC1CCCCC1)Sc1ccccc1.
What is the InChIKey of 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine?
The InChIKey is AWMYCJOYXIYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-13(20-15-10-6-3-7-11-15)12-18-16(17)19-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine?
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine has a molecular weight of 291.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine is sourced from PubChem (CID 111676760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).