ethane;2-methylthiazinane 1,1-dioxide

C7H17NO2S — CID 91310704

IUPACethane;2-methylthiazinane 1,1-dioxide
SMILESCC.CN1CCCCS1(=O)=O
InChIInChI=1S/C5H11NO2S.C2H6/c1-6-4-2-3-5-9(6,7)8;1-2/h2-5H2,1H3;1-2H3
InChIKeyCZOKAUGNGKNALZ-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.07
Rot. Bonds

About ethane;2-methylthiazinane 1,1-dioxide

ethane;2-methylthiazinane 1,1-dioxide (PubChem CID 91310704) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is ethane;2-methylthiazinane 1,1-dioxide.

Molecular Properties

Compound Nameethane;2-methylthiazinane 1,1-dioxide
PubChem CID91310704
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Nameethane;2-methylthiazinane 1,1-dioxide
SMILESCC.CN1CCCCS1(=O)=O
InChIInChI=1S/C5H11NO2S.C2H6/c1-6-4-2-3-5-9(6,7)8;1-2/h2-5H2,1H3;1-2H3
InChIKeyCZOKAUGNGKNALZ-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylthiazinane 1,1-dioxide?
The IUPAC name of ethane;2-methylthiazinane 1,1-dioxide (CID 91310704) is ethane;2-methylthiazinane 1,1-dioxide.
What is the SMILES notation for ethane;2-methylthiazinane 1,1-dioxide?
The canonical SMILES for ethane;2-methylthiazinane 1,1-dioxide is CC.CN1CCCCS1(=O)=O.
What is the InChIKey of ethane;2-methylthiazinane 1,1-dioxide?
The InChIKey is CZOKAUGNGKNALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C2H6/c1-6-4-2-3-5-9(6,7)8;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-methylthiazinane 1,1-dioxide?
ethane;2-methylthiazinane 1,1-dioxide has a molecular weight of 179.28 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylthiazinane 1,1-dioxide is sourced from PubChem (CID 91310704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).