4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid

C9H17NO4S — CID 60808887

IUPAC4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCS(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO4S/c1-2-15(13,14)10-8-5-3-7(4-6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyYISDKNMHSSKMNS-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds4

About 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid

4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 60808887) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID60808887
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCS(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO4S/c1-2-15(13,14)10-8-5-3-7(4-6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyYISDKNMHSSKMNS-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
CID 166513762
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
CID 112690080
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032155
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
CID 162751325
4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 114462144
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
N-(1,1-dioxothian-4-yl)ethanesulfonamide
CID 64586482

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid (CID 60808887) is 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid is CCS(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is YISDKNMHSSKMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-15(13,14)10-8-5-3-7(4-6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid?
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).