3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid

C11H17NO4S2 — CID 43294757

IUPAC3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCCCN(C)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-3-4-5-7-12(2)18(15,16)9-6-8-17-10(9)11(13)14/h6,8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyOTIKZNABXFXGOC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.26
Rot. Bonds7

About 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid

3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43294757) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43294757
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCCCN(C)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-3-4-5-7-12(2)18(15,16)9-6-8-17-10(9)11(13)14/h6,8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyOTIKZNABXFXGOC-UHFFFAOYSA-N
XLogP2.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43089813
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
CID 43443054
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[(4-fluorophenyl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 43402885
methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 47064918
3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 60709103
3-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 25248155
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275642
3-fluoro-4-methyl-5-[methyl(pentyl)sulfamoyl]benzoic acid
CID 43510508
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
CID 62803983

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43294757) is 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid is CCCCCN(C)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OTIKZNABXFXGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-3-4-5-7-12(2)18(15,16)9-6-8-17-10(9)11(13)14/h6,8H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43294757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).