(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride

C12H17ClN4O4S2 — CID 119465982

IUPAC(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC(=O)N2)c1
InChIInChI=1S/C12H16N4O4S2.ClH/c13-4-5-14-22(19,20)9-3-1-2-8(6-9)15-11(17)10-7-21-12(18)16-10;/h1-3,6,10,14H,4-5,7,13H2,(H,15,17)(H,16,18);1H/t10-;/m0./s1
InChIKeyFTNJMBYEVMTUHA-PPHPATTJSA-N
MW380.88 g/mol
LogP0.11
Rot. Bonds6

About (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride

(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119465982) has the molecular formula C12H17ClN4O4S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119465982
Molecular FormulaC12H17ClN4O4S2
Molecular Weight380.88 g/mol
Exact Mass380.04
IUPAC Name(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC(=O)N2)c1
InChIInChI=1S/C12H16N4O4S2.ClH/c13-4-5-14-22(19,20)9-3-1-2-8(6-9)15-11(17)10-7-21-12(18)16-10;/h1-3,6,10,14H,4-5,7,13H2,(H,15,17)(H,16,18);1H/t10-;/m0./s1
InChIKeyFTNJMBYEVMTUHA-PPHPATTJSA-N
XLogP0.11
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 61131241
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465816
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119466084
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465724
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119465895
N-(3-ethynylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864784
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119465982) is (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC(=O)N2)c1.
What is the InChIKey of (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is FTNJMBYEVMTUHA-PPHPATTJSA-N. The full InChI is InChI=1S/C12H16N4O4S2.ClH/c13-4-5-14-22(19,20)9-3-1-2-8(6-9)15-11(17)10-7-21-12(18)16-10;/h1-3,6,10,14H,4-5,7,13H2,(H,15,17)(H,16,18);1H/t10-;/m0./s1.
What are the key properties of (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119465982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).