[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium

C19H32N4O4S+2 — CID 9465075

IUPAC[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
SMILESCC[NH+]1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H30N4O4S/c1-2-22-9-3-4-17(22)14-20-15-19(24)21-16-5-7-18(8-6-16)28(25,26)23-10-12-27-13-11-23/h5-8,17,20H,2-4,9-15H2,1H3,(H,21,24)/p+2/t17-/m1/s1
InChIKeyGTOUAZCRSWFGMC-QGZVFWFLSA-P
MW412.56 g/mol
LogP-1.72
Rot. Bonds8

About [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium

[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 9465075) has the molecular formula C19H32N4O4S+2 and a molecular weight of 412.56 g/mol. Its IUPAC name is [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID9465075
Molecular FormulaC19H32N4O4S+2
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
SMILESCC[NH+]1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H30N4O4S/c1-2-22-9-3-4-17(22)14-20-15-19(24)21-16-5-7-18(8-6-16)28(25,26)23-10-12-27-13-11-23/h5-8,17,20H,2-4,9-15H2,1H3,(H,21,24)/p+2/t17-/m1/s1
InChIKeyGTOUAZCRSWFGMC-QGZVFWFLSA-P
XLogP-1.72
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7434884
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 11931060
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 7925830
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
CID 7368663

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium (CID 9465075) is [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium is CC[NH+]1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is GTOUAZCRSWFGMC-QGZVFWFLSA-P. The full InChI is InChI=1S/C19H30N4O4S/c1-2-22-9-3-4-17(22)14-20-15-19(24)21-16-5-7-18(8-6-16)28(25,26)23-10-12-27-13-11-23/h5-8,17,20H,2-4,9-15H2,1H3,(H,21,24)/p+2/t17-/m1/s1.
What are the key properties of [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 412.56 g/mol, XLogP of -1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9465075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).