N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

C16H24N2O5S — CID 43064539

IUPACN-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1
InChIInChI=1S/C16H24N2O5S/c1-13(18-5-9-21-10-6-18)12-17-24(19,20)14-3-4-15-16(11-14)23-8-2-7-22-15/h3-4,11,13,17H,2,5-10,12H2,1H3
InChIKeyIAJHUGMYCXGJHJ-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.85
Rot. Bonds5

About N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (PubChem CID 43064539) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
PubChem CID43064539
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1
InChIInChI=1S/C16H24N2O5S/c1-13(18-5-9-21-10-6-18)12-17-24(19,20)14-3-4-15-16(11-14)23-8-2-7-22-15/h3-4,11,13,17H,2,5-10,12H2,1H3
InChIKeyIAJHUGMYCXGJHJ-UHFFFAOYSA-N
XLogP0.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 66109301
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-hydroxypropanoic acid
CID 66165855
N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30836060
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55102421
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30578528
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 52985984

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CID 43064539) is N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is CC(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The InChIKey is IAJHUGMYCXGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-13(18-5-9-21-10-6-18)12-17-24(19,20)14-3-4-15-16(11-14)23-8-2-7-22-15/h3-4,11,13,17H,2,5-10,12H2,1H3.
What are the key properties of N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has a molecular weight of 356.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is sourced from PubChem (CID 43064539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).