(4-morpholin-4-ylsulfonylphenyl)methanamine

C11H16N2O3S — CID 4962072

IUPAC(4-morpholin-4-ylsulfonylphenyl)methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H16N2O3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9,12H2
InChIKeyXLDWJOJGHKMPOR-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.17
Rot. Bonds3

About (4-morpholin-4-ylsulfonylphenyl)methanamine

(4-morpholin-4-ylsulfonylphenyl)methanamine (PubChem CID 4962072) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)methanamine
PubChem CID4962072
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H16N2O3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9,12H2
InChIKeyXLDWJOJGHKMPOR-UHFFFAOYSA-N
XLogP0.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)methanamine?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)methanamine (CID 4962072) is (4-morpholin-4-ylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)methanamine?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)methanamine is NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)methanamine?
The InChIKey is XLDWJOJGHKMPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9,12H2.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)methanamine?
(4-morpholin-4-ylsulfonylphenyl)methanamine has a molecular weight of 256.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 4962072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).