N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide

C14H21N3O4S — CID 119407704

IUPACN-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESNCCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H21N3O4S/c15-6-3-7-16-14(18)12-4-1-2-5-13(12)22(19,20)17-8-10-21-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18)
InChIKeyNZFJCERUQXIJIZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.21
Rot. Bonds6

About N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide

N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 119407704) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID119407704
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESNCCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H21N3O4S/c15-6-3-7-16-14(18)12-4-1-2-5-13(12)22(19,20)17-8-10-21-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18)
InChIKeyNZFJCERUQXIJIZ-UHFFFAOYSA-N
XLogP-0.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.21
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-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622118
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229583

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide (CID 119407704) is N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide is NCCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NZFJCERUQXIJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c15-6-3-7-16-14(18)12-4-1-2-5-13(12)22(19,20)17-8-10-21-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18).
What are the key properties of N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 327.41 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).