N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride

C11H24ClN3O4S — CID 119728906

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1COCCN1.Cl
InChIInChI=1S/C11H23N3O4S.ClH/c1-3-19(16,17)14(2)7-4-5-13-11(15)10-9-18-8-6-12-10;/h10,12H,3-9H2,1-2H3,(H,13,15);1H
InChIKeyKDXVUYRWYUNJMD-UHFFFAOYSA-N
MW329.85 g/mol
LogP-0.82
Rot. Bonds7

About N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride

N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119728906) has the molecular formula C11H24ClN3O4S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119728906
Molecular FormulaC11H24ClN3O4S
Molecular Weight329.85 g/mol
Exact Mass329.12
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1COCCN1.Cl
InChIInChI=1S/C11H23N3O4S.ClH/c1-3-19(16,17)14(2)7-4-5-13-11(15)10-9-18-8-6-12-10;/h10,12H,3-9H2,1-2H3,(H,13,15);1H
InChIKeyKDXVUYRWYUNJMD-UHFFFAOYSA-N
XLogP-0.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 5-0.82
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

(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
CID 119840985
N-[2-(propan-2-ylsulfamoyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119758877
N-(5-hydroxy-4-methylpentyl)morpholine-3-carboxamide
CID 106161275
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349
N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
CID 119897262
N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119822123
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119785395
2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
CID 118107617
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride (CID 119728906) is N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride is CCS(=O)(=O)N(C)CCCNC(=O)C1COCCN1.Cl.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is KDXVUYRWYUNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S.ClH/c1-3-19(16,17)14(2)7-4-5-13-11(15)10-9-18-8-6-12-10;/h10,12H,3-9H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride?
N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119728906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).