N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide

C17H28N2O3S — CID 51330970

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-13-6-7-17(14(2)10-13)23(20,21)18-8-5-9-19-11-15(3)22-16(4)12-19/h6-7,10,15-16,18H,5,8-9,11-12H2,1-4H3
InChIKeyLRDNCCZSCPWAHS-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.08
Rot. Bonds6

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 51330970) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
PubChem CID51330970
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-13-6-7-17(14(2)10-13)23(20,21)18-8-5-9-19-11-15(3)22-16(4)12-19/h6-7,10,15-16,18H,5,8-9,11-12H2,1-4H3
InChIKeyLRDNCCZSCPWAHS-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646
ethyl 3-bromo-4-[3-(2,6-dimethylmorpholin-4-yl)propylsulfamoyl]benzoate
CID 55573442
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
CID 47071849
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
CID 94181344
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide (CID 51330970) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CC(C)OC(C)C2)c(C)c1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is LRDNCCZSCPWAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13-6-7-17(14(2)10-13)23(20,21)18-8-5-9-19-11-15(3)22-16(4)12-19/h6-7,10,15-16,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.08, 6 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)propyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 51330970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).