2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide

C13H20N2O4S — CID 125179712

IUPAC2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccoc1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O4S/c1-14(12-4-6-20(17,18)10-12)8-13(16)15(2)7-11-3-5-19-9-11/h3,5,9,12H,4,6-8,10H2,1-2H3/t12-/m0/s1
InChIKeyWROUJBMDSWPHDK-LBPRGKRZSA-N
MW300.38 g/mol
LogP0.36
Rot. Bonds5

About 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide

2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide (PubChem CID 125179712) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
PubChem CID125179712
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccoc1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O4S/c1-14(12-4-6-20(17,18)10-12)8-13(16)15(2)7-11-3-5-19-9-11/h3,5,9,12H,4,6-8,10H2,1-2H3/t12-/m0/s1
InChIKeyWROUJBMDSWPHDK-LBPRGKRZSA-N
XLogP0.36
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 125156790
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108946053
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
N-(4-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylacetamide
CID 43648422
N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 78871349
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-fluorophenyl)methyl]-N-pentylacetamide
CID 87013763
1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 104750523
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-propylphenyl)ethanone
CID 43227373

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide (CID 125179712) is 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide is CN(Cc1ccoc1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide?
The InChIKey is WROUJBMDSWPHDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-14(12-4-6-20(17,18)10-12)8-13(16)15(2)7-11-3-5-19-9-11/h3,5,9,12H,4,6-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide?
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 125179712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).