N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide

C12H18N2O3S — CID 91802325

IUPACN-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)13-12-4-2-3-11(9-12)10-14-5-7-17-8-6-14/h2-4,9,13H,5-8,10H2,1H3
InChIKeyDCFOCXRJAMRRJV-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.89
Rot. Bonds4

About N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide

N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide (PubChem CID 91802325) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
PubChem CID91802325
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)13-12-4-2-3-11(9-12)10-14-5-7-17-8-6-14/h2-4,9,13H,5-8,10H2,1H3
InChIKeyDCFOCXRJAMRRJV-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide (CID 91802325) is N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
The InChIKey is DCFOCXRJAMRRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(15,16)13-12-4-2-3-11(9-12)10-14-5-7-17-8-6-14/h2-4,9,13H,5-8,10H2,1H3.
What are the key properties of N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 91802325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).