N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide

C13H20N2O3S — CID 798761

IUPACN-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C13H20N2O3S/c16-19(17,12-13-4-2-1-3-5-13)14-6-7-15-8-10-18-11-9-15/h1-5,14H,6-12H2
InChIKeyKUQFQJDRPWIMAW-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.44
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide

N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide (PubChem CID 798761) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide
PubChem CID798761
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C13H20N2O3S/c16-19(17,12-13-4-2-1-3-5-13)14-6-7-15-8-10-18-11-9-15/h1-5,14H,6-12H2
InChIKeyKUQFQJDRPWIMAW-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide (CID 798761) is N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide?
The InChIKey is KUQFQJDRPWIMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-19(17,12-13-4-2-1-3-5-13)14-6-7-15-8-10-18-11-9-15/h1-5,14H,6-12H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide?
N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 798761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).