3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide

C9H19NO2S — CID 79396399

IUPAC3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(C(C)C)N1
InChIInChI=1S/C9H19NO2S/c1-4-8-5-13(11,12)6-9(10-8)7(2)3/h7-10H,4-6H2,1-3H3
InChIKeyIOMLQGKSHWHQJX-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds2

About 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide

3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 79396399) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID79396399
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(C(C)C)N1
InChIInChI=1S/C9H19NO2S/c1-4-8-5-13(11,12)6-9(10-8)7(2)3/h7-10H,4-6H2,1-3H3
InChIKeyIOMLQGKSHWHQJX-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide (CID 79396399) is 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide is CCC1CS(=O)(=O)CC(C(C)C)N1.
What is the InChIKey of 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is IOMLQGKSHWHQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-8-5-13(11,12)6-9(10-8)7(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide?
3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 79396399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).