N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide

C16H23N3O4S — CID 119986557

IUPACN-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H23N3O4S/c17-11-15(12-1-2-12)18-24(21,22)14-5-3-13(4-6-14)16(20)19-7-9-23-10-8-19/h3-6,12,15,18H,1-2,7-11,17H2
InChIKeyJUQTXUMFQIFKRR-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.17
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 119986557) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID119986557
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H23N3O4S/c17-11-15(12-1-2-12)18-24(21,22)14-5-3-13(4-6-14)16(20)19-7-9-23-10-8-19/h3-6,12,15,18H,1-2,7-11,17H2
InChIKeyJUQTXUMFQIFKRR-UHFFFAOYSA-N
XLogP0.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119986541
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119982357
N-[1-(2-methylphenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 86984239
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119966761
4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960379

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 119986557) is N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide is NCC(NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is JUQTXUMFQIFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c17-11-15(12-1-2-12)18-24(21,22)14-5-3-13(4-6-14)16(20)19-7-9-23-10-8-19/h3-6,12,15,18H,1-2,7-11,17H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119986557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).