N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide

C11H22N4O2S — CID 102888017

IUPACN-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESCC1CS(=O)(=O)CCN1/C(=N/C1CCCC1)NN
InChIInChI=1S/C11H22N4O2S/c1-9-8-18(16,17)7-6-15(9)11(14-12)13-10-4-2-3-5-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyAGPFWQYDNRRXCU-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.13
Rot. Bonds1

About N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide

N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (PubChem CID 102888017) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
PubChem CID102888017
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
SMILESCC1CS(=O)(=O)CCN1/C(=N/C1CCCC1)NN
InChIInChI=1S/C11H22N4O2S/c1-9-8-18(16,17)7-6-15(9)11(14-12)13-10-4-2-3-5-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyAGPFWQYDNRRXCU-UHFFFAOYSA-N
XLogP-0.13
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.13
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'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide (CID 102888017) is N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is CC1CS(=O)(=O)CCN1/C(=N/C1CCCC1)NN.
What is the InChIKey of N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is AGPFWQYDNRRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-9-8-18(16,17)7-6-15(9)11(14-12)13-10-4-2-3-5-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide?
N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 274.39 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 102888017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).