N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide

C10H20N4O4S — CID 140617253

IUPACN'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide
SMILESN/C(=N\CCN1CCCCCCC1)N1OS(=O)(=O)O1
InChIInChI=1S/C10H20N4O4S/c11-10(14-17-19(15,16)18-14)12-6-9-13-7-4-2-1-3-5-8-13/h1-9H2,(H2,11,12)
InChIKeyDKCOVNPGEUEZRJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.01
Rot. Bonds3

About N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide

N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide (PubChem CID 140617253) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide
PubChem CID140617253
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC NameN'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide
SMILESN/C(=N\CCN1CCCCCCC1)N1OS(=O)(=O)O1
InChIInChI=1S/C10H20N4O4S/c11-10(14-17-19(15,16)18-14)12-6-9-13-7-4-2-1-3-5-8-13/h1-9H2,(H2,11,12)
InChIKeyDKCOVNPGEUEZRJ-UHFFFAOYSA-N
XLogP-0.01
TPSA97.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide?
The IUPAC name of N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide (CID 140617253) is N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide.
What is the SMILES notation for N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide?
The canonical SMILES for N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide is N/C(=N\CCN1CCCCCCC1)N1OS(=O)(=O)O1.
What is the InChIKey of N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide?
The InChIKey is DKCOVNPGEUEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c11-10(14-17-19(15,16)18-14)12-6-9-13-7-4-2-1-3-5-8-13/h1-9H2,(H2,11,12).
What are the key properties of N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide?
N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide has a molecular weight of 292.36 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(azocan-1-yl)ethyl]-2,2-dioxo-1,3,2,4-dioxathiazetidine-4-carboximidamide is sourced from PubChem (CID 140617253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).