3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid

C14H21NO5S2 — CID 164641840

IUPAC3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCO[C@@H](CNS(=O)(=O)c1c(C)csc1C(=O)O)C1CCCC1
InChIInChI=1S/C14H21NO5S2/c1-9-8-21-12(14(16)17)13(9)22(18,19)15-7-11(20-2)10-5-3-4-6-10/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyWYGBBHURDLDQAM-NSHDSACASA-N
MW347.46 g/mol
LogP2.24
Rot. Bonds7

About 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 164641840) has the molecular formula C14H21NO5S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID164641840
Molecular FormulaC14H21NO5S2
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC Name3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCO[C@@H](CNS(=O)(=O)c1c(C)csc1C(=O)O)C1CCCC1
InChIInChI=1S/C14H21NO5S2/c1-9-8-21-12(14(16)17)13(9)22(18,19)15-7-11(20-2)10-5-3-4-6-10/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyWYGBBHURDLDQAM-NSHDSACASA-N
XLogP2.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 164641840) is 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid is CO[C@@H](CNS(=O)(=O)c1c(C)csc1C(=O)O)C1CCCC1.
What is the InChIKey of 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is WYGBBHURDLDQAM-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO5S2/c1-9-8-21-12(14(16)17)13(9)22(18,19)15-7-11(20-2)10-5-3-4-6-10/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 164641840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).