N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide

C16H26N2O3S — CID 112503641

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C16H26N2O3S/c1-3-12-22(19,20)17-13-16(18-8-10-21-11-9-18)15-6-4-14(2)5-7-15/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyDAYSPDRNTJTGFO-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide (PubChem CID 112503641) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
PubChem CID112503641
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C16H26N2O3S/c1-3-12-22(19,20)17-13-16(18-8-10-21-11-9-18)15-6-4-14(2)5-7-15/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyDAYSPDRNTJTGFO-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]ethanesulfonamide
CID 7498187
4-N-cyclopropyl-1-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzene-1,4-disulfonamide
CID 55873638
1-(2,5-difluorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 71796417
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide
CID 43956592
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16831463
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide (CID 112503641) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide?
The InChIKey is DAYSPDRNTJTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-12-22(19,20)17-13-16(18-8-10-21-11-9-18)15-6-4-14(2)5-7-15/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide is sourced from PubChem (CID 112503641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).