2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid

C12H19N3O4S — CID 64671759

IUPAC2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
SMILESCc1nc(S(=O)(=O)NC2(CC(=O)O)CCCC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-9-13-10(8-15(9)2)20(18,19)14-12(7-11(16)17)5-3-4-6-12/h8,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyPLVYTMPNGUKYLU-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.79
Rot. Bonds5

About 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid

2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid (PubChem CID 64671759) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
PubChem CID64671759
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
SMILESCc1nc(S(=O)(=O)NC2(CC(=O)O)CCCC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-9-13-10(8-15(9)2)20(18,19)14-12(7-11(16)17)5-3-4-6-12/h8,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyPLVYTMPNGUKYLU-UHFFFAOYSA-N
XLogP0.79
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid (CID 64671759) is 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid is Cc1nc(S(=O)(=O)NC2(CC(=O)O)CCCC2)cn1C.
What is the InChIKey of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid?
The InChIKey is PLVYTMPNGUKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-13-10(8-15(9)2)20(18,19)14-12(7-11(16)17)5-3-4-6-12/h8,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid?
2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64671759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).