methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate

C13H18N2O5S — CID 847855

IUPACmethyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate
SMILESCOC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O5S/c1-19-13(16)14-10-11-2-4-12(5-3-11)21(17,18)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyGUCJAGSQRMKOLK-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.56
Rot. Bonds4

About methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate

methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate (PubChem CID 847855) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate
PubChem CID847855
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namemethyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate
SMILESCOC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O5S/c1-19-13(16)14-10-11-2-4-12(5-3-11)21(17,18)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyGUCJAGSQRMKOLK-UHFFFAOYSA-N
XLogP0.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate (CID 847855) is methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate is COC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate?
The InChIKey is GUCJAGSQRMKOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-13(16)14-10-11-2-4-12(5-3-11)21(17,18)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3,(H,14,16).
What are the key properties of methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate?
methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate has a molecular weight of 314.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate is sourced from PubChem (CID 847855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).