N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

C14H22N2O3S — CID 869890

IUPACN-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CN1CCOCC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-14(2,12-16-8-10-19-11-9-16)15-20(17,18)13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3
InChIKeyQJKOGQOWKBAYOH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.08
Rot. Bonds5

About N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 869890) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID869890
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CN1CCOCC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-14(2,12-16-8-10-19-11-9-16)15-20(17,18)13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3
InChIKeyQJKOGQOWKBAYOH-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
CID 668789
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(Phenylsulfonyl)morpholine
CID 95050
N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 5063897
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
4-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 9397008
N-[2-(4-acetyl-1-piperazinyl)-1,1-dimethylethyl]benzenesulfonamide
CID 1070175
Benzene-1,4-disulfonic acid 1-dimethylamide 4-[(2-morpholin-4-yl-ethyl)-amide]
CID 23724415
4-methyl-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 262188
N-(3-morpholinopropyl)benzenesulfonamide
CID 262189

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (CID 869890) is N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is CC(C)(CN1CCOCC1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is QJKOGQOWKBAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,12-16-8-10-19-11-9-16)15-20(17,18)13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3.
What are the key properties of N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 869890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).