5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid

C10H16N2O5S — CID 29077453

IUPAC5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H16N2O5S/c1-12(2)7-3-6-11-18(15,16)9-5-4-8(17-9)10(13)14/h4-5,11H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZZADHAGCVKSIIL-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.21
Rot. Bonds7

About 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid

5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid (PubChem CID 29077453) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
PubChem CID29077453
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H16N2O5S/c1-12(2)7-3-6-11-18(15,16)9-5-4-8(17-9)10(13)14/h4-5,11H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZZADHAGCVKSIIL-UHFFFAOYSA-N
XLogP0.21
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid (CID 29077453) is 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid is CN(C)CCCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is ZZADHAGCVKSIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-12(2)7-3-6-11-18(15,16)9-5-4-8(17-9)10(13)14/h4-5,11H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid?
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 29077453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).