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

C10H16N2O4S2 — CID 43443054

IUPAC3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-3-4-6-12(2)18(15,16)11-8-5-7-17-9(8)10(13)14/h5,7,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyCENXYPCCAYGCTQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.83
Rot. Bonds7

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

3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid (PubChem CID 43443054) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
PubChem CID43443054
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-3-4-6-12(2)18(15,16)11-8-5-7-17-9(8)10(13)14/h5,7,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyCENXYPCCAYGCTQ-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
3-[[butyl(methyl)sulfamoyl]amino]-4-methoxybenzoic acid
CID 63742420
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
3,5-dibromo-2-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 63111857
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine
CID 107266804

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid (CID 43443054) is 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid is CCCCN(C)S(=O)(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid?
The InChIKey is CENXYPCCAYGCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-3-4-6-12(2)18(15,16)11-8-5-7-17-9(8)10(13)14/h5,7,11H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid?
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43443054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).