4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C14H20N2O4S2 — CID 154780635

IUPAC4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCN2C2CCCC2)cs1
InChIInChI=1S/C14H20N2O4S2/c17-14(18)13-7-12(9-21-13)22(19,20)15-8-11-5-6-16(11)10-3-1-2-4-10/h7,9-11,15H,1-6,8H2,(H,17,18)
InChIKeyRECSIQWNEVMMSV-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.74
Rot. Bonds6

About 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 154780635) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID154780635
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCN2C2CCCC2)cs1
InChIInChI=1S/C14H20N2O4S2/c17-14(18)13-7-12(9-21-13)22(19,20)15-8-11-5-6-16(11)10-3-1-2-4-10/h7,9-11,15H,1-6,8H2,(H,17,18)
InChIKeyRECSIQWNEVMMSV-UHFFFAOYSA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 154780635) is 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCN2C2CCCC2)cs1.
What is the InChIKey of 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is RECSIQWNEVMMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c17-14(18)13-7-12(9-21-13)22(19,20)15-8-11-5-6-16(11)10-3-1-2-4-10/h7,9-11,15H,1-6,8H2,(H,17,18).
What are the key properties of 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 344.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 154780635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).