N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride

C16H26ClN3O5S — CID 119409785

IUPACN-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N)C2)cc1OCC.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-3-23-14-6-5-13(9-15(14)24-4-2)25(21,22)18-10-16(20)19-8-7-12(17)11-19;/h5-6,9,12,18H,3-4,7-8,10-11,17H2,1-2H3;1H/t12-;/m1./s1
InChIKeyCBWJJZXIDRFDGY-UTONKHPSSA-N
MW407.92 g/mol
LogP0.74
Rot. Bonds8

About N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride

N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride (PubChem CID 119409785) has the molecular formula C16H26ClN3O5S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
PubChem CID119409785
Molecular FormulaC16H26ClN3O5S
Molecular Weight407.92 g/mol
Exact Mass407.13
IUPAC NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N)C2)cc1OCC.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-3-23-14-6-5-13(9-15(14)24-4-2)25(21,22)18-10-16(20)19-8-7-12(17)11-19;/h5-6,9,12,18H,3-4,7-8,10-11,17H2,1-2H3;1H/t12-;/m1./s1
InChIKeyCBWJJZXIDRFDGY-UTONKHPSSA-N
XLogP0.74
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 120658682
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119412585
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-bromo-4,5-diethoxyphenyl)ethanone;hydrochloride
CID 119409776
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
CID 119424877
N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
CID 119626393
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
N-(1-amino-2-methylpropan-2-yl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
CID 119521854
N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide
CID 9055954

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride (CID 119409785) is N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N)C2)cc1OCC.Cl.
What is the InChIKey of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride?
The InChIKey is CBWJJZXIDRFDGY-UTONKHPSSA-N. The full InChI is InChI=1S/C16H25N3O5S.ClH/c1-3-23-14-6-5-13(9-15(14)24-4-2)25(21,22)18-10-16(20)19-8-7-12(17)11-19;/h5-6,9,12,18H,3-4,7-8,10-11,17H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride?
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119409785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).