2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C14H23N3O3S — CID 43348234

IUPAC2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H23N3O3S/c15-12-13-4-1-2-5-14(13)21(18,19)16-6-3-7-17-8-10-20-11-9-17/h1-2,4-5,16H,3,6-12,15H2
InChIKeyXKYALVRKGFZZBW-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.15
Rot. Bonds7

About 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43348234) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43348234
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H23N3O3S/c15-12-13-4-1-2-5-14(13)21(18,19)16-6-3-7-17-8-10-20-11-9-17/h1-2,4-5,16H,3,6-12,15H2
InChIKeyXKYALVRKGFZZBW-UHFFFAOYSA-N
XLogP0.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
1-[2-(aminomethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62992288

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 43348234) is 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is XKYALVRKGFZZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-12-13-4-1-2-5-14(13)21(18,19)16-6-3-7-17-8-10-20-11-9-17/h1-2,4-5,16H,3,6-12,15H2.
What are the key properties of 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43348234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).