2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide

C13H20N2O4S — CID 81039089

IUPAC2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC1CCCS1(=O)=O)C(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O4S/c1-10(13(16)15-8-11-4-2-6-19-11)14-9-12-5-3-7-20(12,17)18/h2,4,6,10,12,14H,3,5,7-9H2,1H3,(H,15,16)
InChIKeyJKYWMCLGOLOIGI-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.45
Rot. Bonds6

About 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide

2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 81039089) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID81039089
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC1CCCS1(=O)=O)C(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O4S/c1-10(13(16)15-8-11-4-2-6-19-11)14-9-12-5-3-7-20(12,17)18/h2,4,6,10,12,14H,3,5,7-9H2,1H3,(H,15,16)
InChIKeyJKYWMCLGOLOIGI-UHFFFAOYSA-N
XLogP0.45
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,1-dioxothian-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 91660388
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103966369
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide (CID 81039089) is 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide is CC(NCC1CCCS1(=O)=O)C(=O)NCc1ccco1.
What is the InChIKey of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is JKYWMCLGOLOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(13(16)15-8-11-4-2-6-19-11)14-9-12-5-3-7-20(12,17)18/h2,4,6,10,12,14H,3,5,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide?
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 81039089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).