1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C12H20N2O3S — CID 114238821

IUPAC1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC(NCC2CCS(=O)(=O)C2)C2CCCN12
InChIInChI=1S/C12H20N2O3S/c15-12-6-10(11-2-1-4-14(11)12)13-7-9-3-5-18(16,17)8-9/h9-11,13H,1-8H2
InChIKeyOPIQAGRUSUAWKT-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.23
Rot. Bonds3

About 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 114238821) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID114238821
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC(NCC2CCS(=O)(=O)C2)C2CCCN12
InChIInChI=1S/C12H20N2O3S/c15-12-6-10(11-2-1-4-14(11)12)13-7-9-3-5-18(16,17)8-9/h9-11,13H,1-8H2
InChIKeyOPIQAGRUSUAWKT-UHFFFAOYSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

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Related Compounds

2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
CID 130490582
1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 130486876
2-[(1,1-dioxothiolan-3-yl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944638
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 54915142
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
3-[(1,1-dioxothiolan-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54914454
1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238903
3-[(1,1-dioxothiolan-3-yl)methylamino]pyrrolidine-2,5-dione
CID 61058278
2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103242606
1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223375
1-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238950
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 114238821) is 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CC(NCC2CCS(=O)(=O)C2)C2CCCN12.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is OPIQAGRUSUAWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-12-6-10(11-2-1-4-14(11)12)13-7-9-3-5-18(16,17)8-9/h9-11,13H,1-8H2.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 272.37 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 114238821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).