1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine

C13H26N4O2S2 — CID 111804808

IUPAC1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
SMILESN/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CCCCC1
InChIInChI=1S/C13H26N4O2S2/c14-13(16-12-4-2-1-3-5-12)15-6-11-21(18,19)17-7-9-20-10-8-17/h12H,1-11H2,(H3,14,15,16)
InChIKeyQMZAVUARRVMBIZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP0.60
Rot. Bonds5

About 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine

1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine (PubChem CID 111804808) has the molecular formula C13H26N4O2S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
PubChem CID111804808
Molecular FormulaC13H26N4O2S2
Molecular Weight334.51 g/mol
Exact Mass334.15
IUPAC Name1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
SMILESN/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CCCCC1
InChIInChI=1S/C13H26N4O2S2/c14-13(16-12-4-2-1-3-5-12)15-6-11-21(18,19)17-7-9-20-10-8-17/h12H,1-11H2,(H3,14,15,16)
InChIKeyQMZAVUARRVMBIZ-UHFFFAOYSA-N
XLogP0.60
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111804807
1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 119146990
ethyl 4-[[N'-(2-thiomorpholin-4-ylsulfonylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111804766
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
CID 111083217
1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 110031118
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1-cyclopropyl-2-(2-sulfamoylethyl)guanidine
CID 62361534
1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120960
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine (CID 111804808) is 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine is N/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The InChIKey is QMZAVUARRVMBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S2/c14-13(16-12-4-2-1-3-5-12)15-6-11-21(18,19)17-7-9-20-10-8-17/h12H,1-11H2,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine has a molecular weight of 334.51 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine is sourced from PubChem (CID 111804808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).