1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C10H15N3O4S — CID 43361608

IUPAC1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C10H15N3O4S/c1-13-7-8(6-11-13)18(16,17)12-10(9(14)15)4-2-3-5-10/h6-7,12H,2-5H2,1H3,(H,14,15)
InChIKeyIBYFOICLBHJUOA-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.10
Rot. Bonds4

About 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 43361608) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID43361608
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C10H15N3O4S/c1-13-7-8(6-11-13)18(16,17)12-10(9(14)15)4-2-3-5-10/h6-7,12H,2-5H2,1H3,(H,14,15)
InChIKeyIBYFOICLBHJUOA-UHFFFAOYSA-N
XLogP0.10
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 43361608) is 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is Cn1cc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IBYFOICLBHJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-13-7-8(6-11-13)18(16,17)12-10(9(14)15)4-2-3-5-10/h6-7,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43361608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).