2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid

C10H20N2O4S — CID 64700173

IUPAC2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
SMILESCN(C)S(=O)(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-10(8-9(13)14)6-4-3-5-7-10/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyFDOWGGLGDSTSDH-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds5

About 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid

2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid (PubChem CID 64700173) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
PubChem CID64700173
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
SMILESCN(C)S(=O)(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-10(8-9(13)14)6-4-3-5-7-10/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyFDOWGGLGDSTSDH-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylsulfamoylamino)-1-(hydroxymethyl)cyclopentane
CID 62521242
2-[1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclobutyl]acetic acid
CID 79846527
2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
1-(dimethylsulfamoylamino)cyclopentane-1-carboxylic acid
CID 43163284
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64673316
2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
CID 64699977
methyl 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylate
CID 35326429
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid (CID 64700173) is 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid is CN(C)S(=O)(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid?
The InChIKey is FDOWGGLGDSTSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-10(8-9(13)14)6-4-3-5-7-10/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid?
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64700173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).