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

C6H12N2O3S — CID 22690355

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4,7H2,(H,8,9)
InChIKeyWZJCXPKWIBFQLD-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.75
Rot. Bonds2

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

2-amino-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 22690355) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID22690355
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4,7H2,(H,8,9)
InChIKeyWZJCXPKWIBFQLD-UHFFFAOYSA-N
XLogP-1.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxidotetrahydrothien-3-yl)-2-(methylamino)acetamide hydrochloride
CID 42913513
2-amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide hydrochloride
CID 42913699
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)-2,2,2-trifluoroacetamide
CID 43859554
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-[(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide (CID 22690355) is 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide is NCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WZJCXPKWIBFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4,7H2,(H,8,9).
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)acetamide?
2-amino-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 192.24 g/mol, XLogP of -1.75, 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 is sourced from PubChem (CID 22690355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).