N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C7H14N2O3S — CID 115612253

IUPACN-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCNC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-2-8-7(10)9-3-5-13(11,12)6-4-9/h2-6H2,1H3,(H,8,10)
InChIKeyGZLJKFYQTZVZQR-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.55
Rot. Bonds1

About N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 115612253) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID115612253
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCNC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-2-8-7(10)9-3-5-13(11,12)6-4-9/h2-6H2,1H3,(H,8,10)
InChIKeyGZLJKFYQTZVZQR-UHFFFAOYSA-N
XLogP-0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 115612253) is N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCNC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is GZLJKFYQTZVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-2-8-7(10)9-3-5-13(11,12)6-4-9/h2-6H2,1H3,(H,8,10).
What are the key properties of N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 206.27 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 115612253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).