[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate

C15H21N2O5S+ — CID 7291167

IUPAC[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCOCC1
InChIInChI=1S/C15H20N2O5S/c18-15(16-12-4-2-1-3-5-12)22-14-11-23(19,20)10-13(14)17-6-8-21-9-7-17/h1-5,13-14H,6-11H2,(H,16,18)/p+1/t13-,14-/m0/s1
InChIKeyJKOWTYIPBIFCRS-KBPBESRZSA-O
MW341.41 g/mol
LogP-0.68
Rot. Bonds3

About [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate

[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate (PubChem CID 7291167) has the molecular formula C15H21N2O5S+ and a molecular weight of 341.41 g/mol. Its IUPAC name is [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate
PubChem CID7291167
Molecular FormulaC15H21N2O5S+
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCOCC1
InChIInChI=1S/C15H20N2O5S/c18-15(16-12-4-2-1-3-5-12)22-14-11-23(19,20)10-13(14)17-6-8-21-9-7-17/h1-5,13-14H,6-11H2,(H,16,18)/p+1/t13-,14-/m0/s1
InChIKeyJKOWTYIPBIFCRS-KBPBESRZSA-O
XLogP-0.68
TPSA86.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate?
The IUPAC name of [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate (CID 7291167) is [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate.
What is the SMILES notation for [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate?
The canonical SMILES for [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCOCC1.
What is the InChIKey of [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate?
The InChIKey is JKOWTYIPBIFCRS-KBPBESRZSA-O. The full InChI is InChI=1S/C15H20N2O5S/c18-15(16-12-4-2-1-3-5-12)22-14-11-23(19,20)10-13(14)17-6-8-21-9-7-17/h1-5,13-14H,6-11H2,(H,16,18)/p+1/t13-,14-/m0/s1.
What are the key properties of [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate?
[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate has a molecular weight of 341.41 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate is sourced from PubChem (CID 7291167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).