[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride

C14H21ClN2O3S — CID 174564878

IUPAC[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride
SMILESC=CC(N1CCOCC1)S(=O)(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-14(16-7-9-19-10-8-16)20(17,18)13-5-3-12(11-15)4-6-13;/h2-6,14H,1,7-11,15H2;1H
InChIKeyLVIPVYAKJXZHEG-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.19
Rot. Bonds5

About [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride

[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride (PubChem CID 174564878) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride
PubChem CID174564878
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride
SMILESC=CC(N1CCOCC1)S(=O)(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-14(16-7-9-19-10-8-16)20(17,18)13-5-3-12(11-15)4-6-13;/h2-6,14H,1,7-11,15H2;1H
InChIKeyLVIPVYAKJXZHEG-UHFFFAOYSA-N
XLogP1.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-5-chloro-N-[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]benzamide
CID 174450423
1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate
CID 174570141
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
CID 43276077
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline
CID 6939042
[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
CID 159021674
2-dimethylphosphoryloxy-1-(1-morpholin-4-ylprop-2-enylsulfonyl)-2-phenylethanone
CID 174508968
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
CID 43275774

Frequently Asked Questions

What is the IUPAC name of [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride (CID 174564878) is [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride is C=CC(N1CCOCC1)S(=O)(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride?
The InChIKey is LVIPVYAKJXZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-2-14(16-7-9-19-10-8-16)20(17,18)13-5-3-12(11-15)4-6-13;/h2-6,14H,1,7-11,15H2;1H.
What are the key properties of [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride?
[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 174564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).