3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide

C8H14NO3S+ — CID 5086904

IUPAC3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC([NH+]2CCOCC2)C1
InChIInChI=1S/C8H13NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h1,6,8H,2-5,7H2/p+1
InChIKeyOFGITLZWOFKLCU-UHFFFAOYSA-O
MW204.27 g/mol
LogP-1.79
Rot. Bonds1

About 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide

3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 5086904) has the molecular formula C8H14NO3S+ and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID5086904
Molecular FormulaC8H14NO3S+
Molecular Weight204.27 g/mol
Exact Mass204.07
IUPAC Name3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC([NH+]2CCOCC2)C1
InChIInChI=1S/C8H13NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h1,6,8H,2-5,7H2/p+1
InChIKeyOFGITLZWOFKLCU-UHFFFAOYSA-O
XLogP-1.79
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide (CID 5086904) is 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CC([NH+]2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is OFGITLZWOFKLCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h1,6,8H,2-5,7H2/p+1.
What are the key properties of 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide?
3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 204.27 g/mol, XLogP of -1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 5086904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).