N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide

C11H22N4OS — CID 104884672

IUPACN-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCS(=O)CC1
InChIInChI=1S/C11H22N4OS/c12-14-11(13-10-4-2-1-3-5-10)15-6-8-17(16)9-7-15/h10H,1-9,12H2,(H,13,14)
InChIKeyAYBJSBSQIUMTGZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.20
Rot. Bonds1

About N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide

N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide (PubChem CID 104884672) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide
PubChem CID104884672
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC NameN-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCS(=O)CC1
InChIInChI=1S/C11H22N4OS/c12-14-11(13-10-4-2-1-3-5-10)15-6-8-17(16)9-7-15/h10H,1-9,12H2,(H,13,14)
InChIKeyAYBJSBSQIUMTGZ-UHFFFAOYSA-N
XLogP0.20
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-oxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide (CID 104884672) is N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide is NN/C(=N\C1CCCCC1)N1CCS(=O)CC1.
What is the InChIKey of N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is AYBJSBSQIUMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c12-14-11(13-10-4-2-1-3-5-10)15-6-8-17(16)9-7-15/h10H,1-9,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide?
N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 258.39 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-1-oxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 104884672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).