N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide

C16H24N2O4S — CID 17154096

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12-4-6-15(7-5-12)23(20,21)17-9-8-16(19)18-10-13(2)22-14(3)11-18/h4-7,13-14,17H,8-11H2,1-3H3
InChIKeyMIANHGSXIOCKLD-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.30
Rot. Bonds5

About N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide

N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide (PubChem CID 17154096) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
PubChem CID17154096
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12-4-6-15(7-5-12)23(20,21)17-9-8-16(19)18-10-13(2)22-14(3)11-18/h4-7,13-14,17H,8-11H2,1-3H3
InChIKeyMIANHGSXIOCKLD-UHFFFAOYSA-N
XLogP1.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide (CID 17154096) is N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
The InChIKey is MIANHGSXIOCKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-4-6-15(7-5-12)23(20,21)17-9-8-16(19)18-10-13(2)22-14(3)11-18/h4-7,13-14,17H,8-11H2,1-3H3.
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 17154096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).