ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide

C8H19NO3S — CID 165010578

IUPACethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide
SMILESCC.CC(C)N1CCOCS1(=O)=O
InChIInChI=1S/C6H13NO3S.C2H6/c1-6(2)7-3-4-10-5-11(7,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyJQIAMXFTRCYUTL-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.04
Rot. Bonds1

About ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide

ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 165010578) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID165010578
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Nameethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide
SMILESCC.CC(C)N1CCOCS1(=O)=O
InChIInChI=1S/C6H13NO3S.C2H6/c1-6(2)7-3-4-10-5-11(7,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyJQIAMXFTRCYUTL-UHFFFAOYSA-N
XLogP1.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164956679
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CID 158438628
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
CID 158908993
ethane;4-methylmorpholine
CID 54432133
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-(4-tert-butyl-3-chlorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 118463246
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
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1-methyl-4-propan-2-ylpiperazine
CID 7471963

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide (CID 165010578) is ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide is CC.CC(C)N1CCOCS1(=O)=O.
What is the InChIKey of ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is JQIAMXFTRCYUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.C2H6/c1-6(2)7-3-4-10-5-11(7,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide?
ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 209.31 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 165010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).