N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C9H19ClN2O3S2 — CID 119325433

IUPACN-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C9H18N2O3S2.ClH/c1-3-16(13,14)5-7(2)11-9(12)8-4-15-6-10-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyMSIDEVRCXKDIMB-UHFFFAOYSA-N
MW302.85 g/mol
LogP0.01
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119325433) has the molecular formula C9H19ClN2O3S2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119325433
Molecular FormulaC9H19ClN2O3S2
Molecular Weight302.85 g/mol
Exact Mass302.05
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C9H18N2O3S2.ClH/c1-3-16(13,14)5-7(2)11-9(12)8-4-15-6-10-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyMSIDEVRCXKDIMB-UHFFFAOYSA-N
XLogP0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119958433
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 164654399
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119325433) is N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CCS(=O)(=O)CC(C)NC(=O)C1CSCN1.Cl.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is MSIDEVRCXKDIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2.ClH/c1-3-16(13,14)5-7(2)11-9(12)8-4-15-6-10-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119325433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).