1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate

C11H20N2O5S — CID 28784445

IUPAC1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
SMILESO=C([O-])C1([NH2+]S(=O)(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C11H20N2O5S/c14-10(15)11(4-2-1-3-5-11)12-19(16,17)13-6-8-18-9-7-13/h12H,1-9H2,(H,14,15)
InChIKeyYTMZXHLWNJMEGX-UHFFFAOYSA-N
MW292.36 g/mol
LogP-2.42
Rot. Bonds4

About 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate

1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate (PubChem CID 28784445) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
PubChem CID28784445
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
SMILESO=C([O-])C1([NH2+]S(=O)(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C11H20N2O5S/c14-10(15)11(4-2-1-3-5-11)12-19(16,17)13-6-8-18-9-7-13/h12H,1-9H2,(H,14,15)
InChIKeyYTMZXHLWNJMEGX-UHFFFAOYSA-N
XLogP-2.42
TPSA103.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
The IUPAC name of 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate (CID 28784445) is 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
The canonical SMILES for 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate is O=C([O-])C1([NH2+]S(=O)(=O)N2CCOCC2)CCCCC1.
What is the InChIKey of 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
The InChIKey is YTMZXHLWNJMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c14-10(15)11(4-2-1-3-5-11)12-19(16,17)13-6-8-18-9-7-13/h12H,1-9H2,(H,14,15).
What are the key properties of 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate has a molecular weight of 292.36 g/mol, XLogP of -2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylsulfonylazaniumyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 28784445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).