5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide

C12H20N2O5S2 — CID 81042035

IUPAC5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCC2CCCS2(=O)=O)o1
InChIInChI=1S/C12H20N2O5S2/c1-14(2)21(17,18)12-6-5-10(19-12)8-13-9-11-4-3-7-20(11,15)16/h5-6,11,13H,3-4,7-9H2,1-2H3
InChIKeyHFRRCZZIWZSWLP-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.20
Rot. Bonds6

About 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 81042035) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID81042035
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCC2CCCS2(=O)=O)o1
InChIInChI=1S/C12H20N2O5S2/c1-14(2)21(17,18)12-6-5-10(19-12)8-13-9-11-4-3-7-20(11,15)16/h5-6,11,13H,3-4,7-9H2,1-2H3
InChIKeyHFRRCZZIWZSWLP-UHFFFAOYSA-N
XLogP0.20
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 103914756
N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
CID 106324582
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
N-[(2-bromophenyl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81041699
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614
1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine
CID 81039352
1-(1,1-dioxothiolan-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 113356263
N-[(1,1-dioxothiolan-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 81039242
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 94139160
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 81038446

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 81042035) is 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNCC2CCCS2(=O)=O)o1.
What is the InChIKey of 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is HFRRCZZIWZSWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-14(2)21(17,18)12-6-5-10(19-12)8-13-9-11-4-3-7-20(11,15)16/h5-6,11,13H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 81042035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).