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

C13H21N3O4S — CID 64702323

IUPAC2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid
SMILESCc1nc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)cn1C
InChIInChI=1S/C13H21N3O4S/c1-10-14-11(9-16(10)2)21(19,20)15-13(8-12(17)18)6-4-3-5-7-13/h9,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyFKSOKRQIAMFRQX-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.18
Rot. Bonds5

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

2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid (PubChem CID 64702323) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid
PubChem CID64702323
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid
SMILESCc1nc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)cn1C
InChIInChI=1S/C13H21N3O4S/c1-10-14-11(9-16(10)2)21(19,20)15-13(8-12(17)18)6-4-3-5-7-13/h9,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyFKSOKRQIAMFRQX-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671759
2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid
CID 79845001
1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 62061753
N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063500
N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 106297757
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentyl]acetic acid
CID 103414272
N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062813
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64673316
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid (CID 64702323) is 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid is Cc1nc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)cn1C.
What is the InChIKey of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid?
The InChIKey is FKSOKRQIAMFRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-10-14-11(9-16(10)2)21(19,20)15-13(8-12(17)18)6-4-3-5-7-13/h9,15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid?
2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid has a molecular weight of 315.39 g/mol, XLogP of 1.18, 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]cyclohexyl]acetic acid is sourced from PubChem (CID 64702323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).