4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide

C10H21NO4S — CID 63619012

IUPAC4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
SMILESCCOC(CN1CCS(=O)(=O)CC1)OCC
InChIInChI=1S/C10H21NO4S/c1-3-14-10(15-4-2)9-11-5-7-16(12,13)8-6-11/h10H,3-9H2,1-2H3
InChIKeyRAHATINPIJMELH-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.12
Rot. Bonds6

About 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide

4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 63619012) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID63619012
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
SMILESCCOC(CN1CCS(=O)(=O)CC1)OCC
InChIInChI=1S/C10H21NO4S/c1-3-14-10(15-4-2)9-11-5-7-16(12,13)8-6-11/h10H,3-9H2,1-2H3
InChIKeyRAHATINPIJMELH-UHFFFAOYSA-N
XLogP0.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide (CID 63619012) is 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide is CCOC(CN1CCS(=O)(=O)CC1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RAHATINPIJMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-14-10(15-4-2)9-11-5-7-16(12,13)8-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide?
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 251.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 63619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).