N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide

C15H23N3O4S — CID 119982357

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(11-16)17(2)23(20,21)14-5-3-13(4-6-14)15(19)18-7-9-22-10-8-18/h3-6,12H,7-11,16H2,1-2H3
InChIKeySHUAGOUWQLIKCN-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.13
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide

N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 119982357) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID119982357
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(11-16)17(2)23(20,21)14-5-3-13(4-6-14)15(19)18-7-9-22-10-8-18/h3-6,12H,7-11,16H2,1-2H3
InChIKeySHUAGOUWQLIKCN-UHFFFAOYSA-N
XLogP0.13
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37478178
N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119986557
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86981327
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 119982357) is N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide is CC(CN)N(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is SHUAGOUWQLIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12(11-16)17(2)23(20,21)14-5-3-13(4-6-14)15(19)18-7-9-22-10-8-18/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119982357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).