N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide

C15H24N2O3S — CID 122142959

IUPACN-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)CCCN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-14-5-3-6-15(13-14)16(2)21(18,19)12-4-7-17-8-10-20-11-9-17/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyCHPBMIWGXLOQON-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.48
Rot. Bonds6

About N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide

N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide (PubChem CID 122142959) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide
PubChem CID122142959
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)CCCN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-14-5-3-6-15(13-14)16(2)21(18,19)12-4-7-17-8-10-20-11-9-17/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyCHPBMIWGXLOQON-UHFFFAOYSA-N
XLogP1.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785
3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
CID 82320048
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine
CID 73053508
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-N-methyl-N-(3-methylphenyl)ethanesulfonamide
CID 154759600
CID 5478391
CID 5478391
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-morpholin-4-ylpropane-1-sulfonamide
CID 75450390

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide (CID 122142959) is N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide is Cc1cccc(N(C)S(=O)(=O)CCCN2CCOCC2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide?
The InChIKey is CHPBMIWGXLOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-14-5-3-6-15(13-14)16(2)21(18,19)12-4-7-17-8-10-20-11-9-17/h3,5-6,13H,4,7-12H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide?
N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 122142959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).