1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine

C11H22N4O2S — CID 104883033

IUPAC1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine
SMILESNN/C(=N\C1CCCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N4O2S/c12-15-11(13-9-4-2-1-3-5-9)14-10-6-7-18(16,17)8-10/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeyFHNXFJFDFZTCCT-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.08
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine

1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine (PubChem CID 104883033) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine
PubChem CID104883033
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine
SMILESNN/C(=N\C1CCCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N4O2S/c12-15-11(13-9-4-2-1-3-5-9)14-10-6-7-18(16,17)8-10/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeyFHNXFJFDFZTCCT-UHFFFAOYSA-N
XLogP-0.08
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine (CID 104883033) is 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine is NN/C(=N\C1CCCCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine?
The InChIKey is FHNXFJFDFZTCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c12-15-11(13-9-4-2-1-3-5-9)14-10-6-7-18(16,17)8-10/h9-10H,1-8,12H2,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine?
1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine has a molecular weight of 274.39 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(1,1-dioxothiolan-3-yl)guanidine is sourced from PubChem (CID 104883033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).