1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C11H17N3O4S — CID 62063669

IUPAC1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1C
InChIInChI=1S/C11H17N3O4S/c1-8-12-9(7-14(8)2)19(17,18)13-11(10(15)16)5-3-4-6-11/h7,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyNDRRWQXNGXQXRG-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.40
Rot. Bonds4

About 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 62063669) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID62063669
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1C
InChIInChI=1S/C11H17N3O4S/c1-8-12-9(7-14(8)2)19(17,18)13-11(10(15)16)5-3-4-6-11/h7,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyNDRRWQXNGXQXRG-UHFFFAOYSA-N
XLogP0.40
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 62063669) is 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1nc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1C.
What is the InChIKey of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is NDRRWQXNGXQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-12-9(7-14(8)2)19(17,18)13-11(10(15)16)5-3-4-6-11/h7,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62063669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).