N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide

C16H26N2O3S — CID 2480420

IUPACN-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-14(2)15-4-6-16(7-5-15)22(19,20)17-8-3-9-18-10-12-21-13-11-18/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyJMJDRCWSTLHMIP-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.81
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide

N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 2480420) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID2480420
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-14(2)15-4-6-16(7-5-15)22(19,20)17-8-3-9-18-10-12-21-13-11-18/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyJMJDRCWSTLHMIP-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide (CID 2480420) is N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is JMJDRCWSTLHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14(2)15-4-6-16(7-5-15)22(19,20)17-8-3-9-18-10-12-21-13-11-18/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2480420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).