N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide

C12H22N2O5S2 — CID 109026291

IUPACN-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
SMILESCN(CCC(=O)NC1CCS(=O)(=O)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S2/c1-14(11-4-7-21(18,19)9-11)5-2-12(15)13-10-3-6-20(16,17)8-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFJOYGKQLOZIENU-UHFFFAOYSA-N
MW338.45 g/mol
LogP-1.20
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide

N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide (PubChem CID 109026291) has the molecular formula C12H22N2O5S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
PubChem CID109026291
Molecular FormulaC12H22N2O5S2
Molecular Weight338.45 g/mol
Exact Mass338.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
SMILESCN(CCC(=O)NC1CCS(=O)(=O)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S2/c1-14(11-4-7-21(18,19)9-11)5-2-12(15)13-10-3-6-20(16,17)8-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFJOYGKQLOZIENU-UHFFFAOYSA-N
XLogP-1.20
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
3-[butyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113136680
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026818
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 61232030
3-(N-acetyl-4-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126548

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide (CID 109026291) is N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide is CN(CCC(=O)NC1CCS(=O)(=O)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide?
The InChIKey is FJOYGKQLOZIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S2/c1-14(11-4-7-21(18,19)9-11)5-2-12(15)13-10-3-6-20(16,17)8-10/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide?
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide has a molecular weight of 338.45 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide is sourced from PubChem (CID 109026291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).