2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

C12H19N3O4S — CID 79373105

IUPAC2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)NCC2CCCC2C(=O)O)c1
InChIInChI=1S/C12H19N3O4S/c1-2-15-7-11(13-8-15)20(18,19)14-6-9-4-3-5-10(9)12(16)17/h7-10,14H,2-6H2,1H3,(H,16,17)
InChIKeyXJCVWWJKCGHURV-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.68
Rot. Bonds6

About 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 79373105) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID79373105
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)NCC2CCCC2C(=O)O)c1
InChIInChI=1S/C12H19N3O4S/c1-2-15-7-11(13-8-15)20(18,19)14-6-9-4-3-5-10(9)12(16)17/h7-10,14H,2-6H2,1H3,(H,16,17)
InChIKeyXJCVWWJKCGHURV-UHFFFAOYSA-N
XLogP0.68
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 79373105) is 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is CCn1cnc(S(=O)(=O)NCC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XJCVWWJKCGHURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-15-7-11(13-8-15)20(18,19)14-6-9-4-3-5-10(9)12(16)17/h7-10,14H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79373105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).