5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid

C10H13NO5S2 — CID 114115798

IUPAC5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCSC1(CNS(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C10H13NO5S2/c1-17-10(4-5-10)6-11-18(14,15)8-3-2-7(16-8)9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyNGLOZWXQAZXOGT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.15
Rot. Bonds6

About 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid

5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 114115798) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID114115798
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCSC1(CNS(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C10H13NO5S2/c1-17-10(4-5-10)6-11-18(14,15)8-3-2-7(16-8)9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyNGLOZWXQAZXOGT-UHFFFAOYSA-N
XLogP1.15
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
4-[(1-methylsulfanylcyclobutyl)methylsulfamoyl]benzoic acid
CID 107266400
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
2-fluoro-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266428
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
2-hydroxy-4-methyl-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266448

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid (CID 114115798) is 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid is CSC1(CNS(=O)(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is NGLOZWXQAZXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-17-10(4-5-10)6-11-18(14,15)8-3-2-7(16-8)9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid?
5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114115798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).