N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide

C13H21N3O3S — CID 63229912

IUPACN-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide
SMILESCCCN(c1cccc(N)c1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H21N3O3S/c1-2-6-16(13-5-3-4-12(14)11-13)20(17,18)15-7-9-19-10-8-15/h3-5,11H,2,6-10,14H2,1H3
InChIKeyXYLGBYNOEMGIBM-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.06
Rot. Bonds5

About N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide

N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide (PubChem CID 63229912) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide
PubChem CID63229912
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide
SMILESCCCN(c1cccc(N)c1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H21N3O3S/c1-2-6-16(13-5-3-4-12(14)11-13)20(17,18)15-7-9-19-10-8-15/h3-5,11H,2,6-10,14H2,1H3
InChIKeyXYLGBYNOEMGIBM-UHFFFAOYSA-N
XLogP1.06
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
CID 43275774
N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
CID 63230096
N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
CID 63233770
N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide
CID 63230035
3-(morpholin-4-ylsulfonylmethyl)aniline
CID 43255619
N-(3-aminophenyl)-N-ethylbutane-1-sulfonamide
CID 63229885
N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
CID 103223804
3-N-(3-methylsulfonylpropyl)-3-N-propylbenzene-1,3-diamine
CID 55175556
4-morpholin-4-ylsulfonyl-N,N-dipropylpiperazine-1-sulfonamide
CID 55627166
4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 43461730
3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-N-propylbenzene-1,3-diamine
CID 64533331
N-[3-[[3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]phenyl]disulfanyl]phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 89459867

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide (CID 63229912) is N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide is CCCN(c1cccc(N)c1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide?
The InChIKey is XYLGBYNOEMGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-6-16(13-5-3-4-12(14)11-13)20(17,18)15-7-9-19-10-8-15/h3-5,11H,2,6-10,14H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide?
N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 63229912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).