N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide

C12H24N4O2S — CID 111069694

IUPACN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCN1CCS(=O)(=O)CC1)N1CCCCC1
InChIInChI=1S/C12H24N4O2S/c13-12(16-5-2-1-3-6-16)14-4-7-15-8-10-19(17,18)11-9-15/h1-11H2,(H2,13,14)
InChIKeyLZSXWDXWFIDUHX-UHFFFAOYSA-N
MW288.42 g/mol
LogP-0.48
Rot. Bonds3

About N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide

N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111069694) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111069694
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCN1CCS(=O)(=O)CC1)N1CCCCC1
InChIInChI=1S/C12H24N4O2S/c13-12(16-5-2-1-3-6-16)14-4-7-15-8-10-19(17,18)11-9-15/h1-11H2,(H2,13,14)
InChIKeyLZSXWDXWFIDUHX-UHFFFAOYSA-N
XLogP-0.48
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
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

N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
CID 75495270
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111062631
N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
CID 122095647
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806077
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide
CID 109467785
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide (CID 111069694) is N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide is N/C(=N\CCN1CCS(=O)(=O)CC1)N1CCCCC1.
What is the InChIKey of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is LZSXWDXWFIDUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c13-12(16-5-2-1-3-6-16)14-4-7-15-8-10-19(17,18)11-9-15/h1-11H2,(H2,13,14).
What are the key properties of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide?
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 288.42 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111069694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).