4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C13H20N2O3S2 — CID 6459431

IUPAC4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C13H20N2O3S2/c1-19-12-2-4-13(5-3-12)20(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3
InChIKeyWYNNNSZARCSWIJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.02
Rot. Bonds6

About 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 6459431) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID6459431
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C13H20N2O3S2/c1-19-12-2-4-13(5-3-12)20(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3
InChIKeyWYNNNSZARCSWIJ-UHFFFAOYSA-N
XLogP1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 6459431) is 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is CSc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is WYNNNSZARCSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-19-12-2-4-13(5-3-12)20(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6459431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).