[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine

C12H18N2O3S — CID 9115250

IUPAC[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O3S/c13-9-11-3-1-2-4-12(11)10-18(15,16)14-5-7-17-8-6-14/h1-4H,5-10,13H2
InChIKeyAJHVMHVPGHXSRV-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.31
Rot. Bonds4

About [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine

[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine (PubChem CID 9115250) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
PubChem CID9115250
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O3S/c13-9-11-3-1-2-4-12(11)10-18(15,16)14-5-7-17-8-6-14/h1-4H,5-10,13H2
InChIKeyAJHVMHVPGHXSRV-UHFFFAOYSA-N
XLogP0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine (CID 9115250) is [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine is NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
The InChIKey is AJHVMHVPGHXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-9-11-3-1-2-4-12(11)10-18(15,16)14-5-7-17-8-6-14/h1-4H,5-10,13H2.
What are the key properties of [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine?
[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine has a molecular weight of 270.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 9115250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).