N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide

C11H21N3O2S — CID 64906662

IUPACN-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide
SMILESNN/C(=N\C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21N3O2S/c12-14-11(9-6-7-17(15,16)8-9)13-10-4-2-1-3-5-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyDIOSRIOEFKGERS-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.62
Rot. Bonds2

About N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide

N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide (PubChem CID 64906662) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide
PubChem CID64906662
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide
SMILESNN/C(=N\C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21N3O2S/c12-14-11(9-6-7-17(15,16)8-9)13-10-4-2-1-3-5-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyDIOSRIOEFKGERS-UHFFFAOYSA-N
XLogP0.62
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
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 N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide (CID 64906662) is N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide is NN/C(=N\C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide?
The InChIKey is DIOSRIOEFKGERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c12-14-11(9-6-7-17(15,16)8-9)13-10-4-2-1-3-5-10/h9-10H,1-8,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide?
N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide has a molecular weight of 259.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-1,1-dioxothiolane-3-carboximidamide is sourced from PubChem (CID 64906662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).