N'-(1,1-dioxothian-4-yl)ethanimidamide

C7H14N2O2S — CID 63172916

IUPACN'-(1,1-dioxothian-4-yl)ethanimidamide
SMILESC/C(N)=N\C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O2S/c1-6(8)9-7-2-4-12(10,11)5-3-7/h7H,2-5H2,1H3,(H2,8,9)
InChIKeyMVOFATMRWAAISN-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.06
Rot. Bonds1

About N'-(1,1-dioxothian-4-yl)ethanimidamide

N'-(1,1-dioxothian-4-yl)ethanimidamide (PubChem CID 63172916) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N'-(1,1-dioxothian-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1,1-dioxothian-4-yl)ethanimidamide
PubChem CID63172916
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN'-(1,1-dioxothian-4-yl)ethanimidamide
SMILESC/C(N)=N\C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O2S/c1-6(8)9-7-2-4-12(10,11)5-3-7/h7H,2-5H2,1H3,(H2,8,9)
InChIKeyMVOFATMRWAAISN-UHFFFAOYSA-N
XLogP-0.06
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(1,1-dioxothian-4-yl)ethanimidamide?
The IUPAC name of N'-(1,1-dioxothian-4-yl)ethanimidamide (CID 63172916) is N'-(1,1-dioxothian-4-yl)ethanimidamide.
What is the SMILES notation for N'-(1,1-dioxothian-4-yl)ethanimidamide?
The canonical SMILES for N'-(1,1-dioxothian-4-yl)ethanimidamide is C/C(N)=N\C1CCS(=O)(=O)CC1.
What is the InChIKey of N'-(1,1-dioxothian-4-yl)ethanimidamide?
The InChIKey is MVOFATMRWAAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6(8)9-7-2-4-12(10,11)5-3-7/h7H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-(1,1-dioxothian-4-yl)ethanimidamide?
N'-(1,1-dioxothian-4-yl)ethanimidamide has a molecular weight of 190.27 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothian-4-yl)ethanimidamide is sourced from PubChem (CID 63172916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).