2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride

C6H13ClN2O3S — CID 42913699

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S.ClH/c7-3-6(9)8-5-1-2-12(10,11)4-5;/h5H,1-4,7H2,(H,8,9);1H
InChIKeyVEVKEBOWCHDWIQ-UHFFFAOYSA-N
MW228.70 g/mol
LogP-1.33
Rot. Bonds2

About 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride

2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride (PubChem CID 42913699) has the molecular formula C6H13ClN2O3S and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride
PubChem CID42913699
Molecular FormulaC6H13ClN2O3S
Molecular Weight228.70 g/mol
Exact Mass228.03
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S.ClH/c7-3-6(9)8-5-1-2-12(10,11)4-5;/h5H,1-4,7H2,(H,8,9);1H
InChIKeyVEVKEBOWCHDWIQ-UHFFFAOYSA-N
XLogP-1.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;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-(1,1-dioxidotetrahydrothien-3-yl)-2-(methylamino)acetamide hydrochloride
CID 42913513
3-amino-N-(1,1-dioxidotetrahydrothien-3-yl)propanamide hydrochloride
CID 42943455
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-(ethylamino)acetamide
CID 3682000
3-Amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)propanamide
CID 20121318
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylamino)acetamide
CID 24690088
N-(1,1-dioxothiolan-3-yl)acetamide
CID 237864
N,N'-bis(1,1-dioxidotetrahydrothiophen-3-yl)ethanediamide
CID 3152339
N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide
CID 18801599
2-Amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 22690355
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647008
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78795420
N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride (CID 42913699) is 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride is Cl.NCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride?
The InChIKey is VEVKEBOWCHDWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S.ClH/c7-3-6(9)8-5-1-2-12(10,11)4-5;/h5H,1-4,7H2,(H,8,9);1H.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride?
2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride has a molecular weight of 228.70 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 42913699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).