4-ethyl-1,4-thiazinane 1,1-dioxide

C6H13NO2S — CID 15916603

IUPAC4-ethyl-1,4-thiazinane 1,1-dioxide
SMILESCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S/c1-2-7-3-5-10(8,9)6-4-7/h2-6H2,1H3
InChIKeyZOPHPVGCXNVLKF-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.26
Rot. Bonds1

About 4-ethyl-1,4-thiazinane 1,1-dioxide

4-ethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 15916603) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-ethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-1,4-thiazinane 1,1-dioxide
PubChem CID15916603
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-ethyl-1,4-thiazinane 1,1-dioxide
SMILESCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S/c1-2-7-3-5-10(8,9)6-4-7/h2-6H2,1H3
InChIKeyZOPHPVGCXNVLKF-UHFFFAOYSA-N
XLogP-0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholine, 4-methyl-, 1,1-dioxide
CID 91413
4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2777265
4,4-Dimethyl-1,4-thiazinan-4-ium1,1-dioxide,bromide
CID 3056932
4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
N,N-dimethyl-2-methylsulphonylethylamine
CID 2817340
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
4-(2-Bromoethyl)-1lambda6-thiomorpholine-1,1-dione hydrobromide
CID 75480345
4,4-Dimethyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 423310
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
CID 140833465
4-Methyl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 146666999
4-Fluoro-1,4-thiazinane 1,1-dioxide
CID 174877818
4-Methyl-1,4-thiazinane 1-oxide
CID 12386283

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-ethyl-1,4-thiazinane 1,1-dioxide (CID 15916603) is 4-ethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-ethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-ethyl-1,4-thiazinane 1,1-dioxide is CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-ethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZOPHPVGCXNVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-7-3-5-10(8,9)6-4-7/h2-6H2,1H3.
What are the key properties of 4-ethyl-1,4-thiazinane 1,1-dioxide?
4-ethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 15916603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).