N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride

C16H26ClN3O6S — CID 119404990

IUPACN-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCCN)c1OC.Cl
InChIInChI=1S/C16H25N3O6S.ClH/c1-23-14-11-12(26(21,22)19-6-8-25-9-7-19)10-13(15(14)24-2)16(20)18-5-3-4-17;/h10-11H,3-9,17H2,1-2H3,(H,18,20);1H
InChIKeyGSLCJZHOCPMESB-UHFFFAOYSA-N
MW423.92 g/mol
LogP0.23
Rot. Bonds8

About N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride

N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119404990) has the molecular formula C16H26ClN3O6S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119404990
Molecular FormulaC16H26ClN3O6S
Molecular Weight423.92 g/mol
Exact Mass423.12
IUPAC NameN-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCCN)c1OC.Cl
InChIInChI=1S/C16H25N3O6S.ClH/c1-23-14-11-12(26(21,22)19-6-8-25-9-7-19)10-13(15(14)24-2)16(20)18-5-3-4-17;/h10-11H,3-9,17H2,1-2H3,(H,18,20);1H
InChIKeyGSLCJZHOCPMESB-UHFFFAOYSA-N
XLogP0.23
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43007086
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55676114
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46478502
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
CID 43005968
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119404990) is N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride is COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCCN)c1OC.Cl.
What is the InChIKey of N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is GSLCJZHOCPMESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S.ClH/c1-23-14-11-12(26(21,22)19-6-8-25-9-7-19)10-13(15(14)24-2)16(20)18-5-3-4-17;/h10-11H,3-9,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 423.92 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).