ethane;2-propan-2-ylthiazinane 1,1-dioxide

C9H21NO2S — CID 164956679

IUPACethane;2-propan-2-ylthiazinane 1,1-dioxide
SMILESCC.CC(C)N1CCCCS1(=O)=O
InChIInChI=1S/C7H15NO2S.C2H6/c1-7(2)8-5-3-4-6-11(8,9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyBGPICLXPISVQJD-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.85
Rot. Bonds1

About ethane;2-propan-2-ylthiazinane 1,1-dioxide

ethane;2-propan-2-ylthiazinane 1,1-dioxide (PubChem CID 164956679) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;2-propan-2-ylthiazinane 1,1-dioxide.

Molecular Properties

Compound Nameethane;2-propan-2-ylthiazinane 1,1-dioxide
PubChem CID164956679
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Nameethane;2-propan-2-ylthiazinane 1,1-dioxide
SMILESCC.CC(C)N1CCCCS1(=O)=O
InChIInChI=1S/C7H15NO2S.C2H6/c1-7(2)8-5-3-4-6-11(8,9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyBGPICLXPISVQJD-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylthiazinane 1,1-dioxide?
The IUPAC name of ethane;2-propan-2-ylthiazinane 1,1-dioxide (CID 164956679) is ethane;2-propan-2-ylthiazinane 1,1-dioxide.
What is the SMILES notation for ethane;2-propan-2-ylthiazinane 1,1-dioxide?
The canonical SMILES for ethane;2-propan-2-ylthiazinane 1,1-dioxide is CC.CC(C)N1CCCCS1(=O)=O.
What is the InChIKey of ethane;2-propan-2-ylthiazinane 1,1-dioxide?
The InChIKey is BGPICLXPISVQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C2H6/c1-7(2)8-5-3-4-6-11(8,9)10;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-ylthiazinane 1,1-dioxide?
ethane;2-propan-2-ylthiazinane 1,1-dioxide has a molecular weight of 207.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylthiazinane 1,1-dioxide is sourced from PubChem (CID 164956679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).