4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide

C13H17N3O3S — CID 83023580

IUPAC4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C13H17N3O3S/c14-7-1-2-12-3-5-13(6-4-12)20(17,18)15-16-8-10-19-11-9-16/h3-6,15H,7-11,14H2
InChIKeyRSUFCPWXVAAJRG-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.48
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83023580) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83023580
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C13H17N3O3S/c14-7-1-2-12-3-5-13(6-4-12)20(17,18)15-16-8-10-19-11-9-16/h3-6,15H,7-11,14H2
InChIKeyRSUFCPWXVAAJRG-UHFFFAOYSA-N
XLogP-0.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzamide
CID 83022705
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
4-[hydroxy(oxido)amino]-N-morpholin-4-ylbenzenesulfonamide
CID 21139487
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide
CID 60844096
5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
CID 83023656
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide (CID 83023580) is 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide is NCC#Cc1ccc(S(=O)(=O)NN2CCOCC2)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is RSUFCPWXVAAJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-7-1-2-12-3-5-13(6-4-12)20(17,18)15-16-8-10-19-11-9-16/h3-6,15H,7-11,14H2.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83023580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).