3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid

C12H17NO5S2 — CID 102860892

IUPAC3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H17NO5S2/c14-7-2-6-13(9-3-1-4-9)20(17,18)10-5-8-19-11(10)12(15)16/h5,8-9,14H,1-4,6-7H2,(H,15,16)
InChIKeyVDKINLZWJNCAFK-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.37
Rot. Bonds7

About 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid

3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102860892) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102860892
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H17NO5S2/c14-7-2-6-13(9-3-1-4-9)20(17,18)10-5-8-19-11(10)12(15)16/h5,8-9,14H,1-4,6-7H2,(H,15,16)
InChIKeyVDKINLZWJNCAFK-UHFFFAOYSA-N
XLogP1.37
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102860909
3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090724
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
N-cyclobutyl-N-(3-hydroxypropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 102847607
3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43242228
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102861360
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102867499
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102860892) is 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VDKINLZWJNCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-7-2-6-13(9-3-1-4-9)20(17,18)10-5-8-19-11(10)12(15)16/h5,8-9,14H,1-4,6-7H2,(H,15,16).
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102860892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).