4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H19NO4S2 — CID 61454626

IUPAC4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C13H19NO4S2/c1-2-11-7-8-12(19-11)20(17,18)14-10-5-3-9(4-6-10)13(15)16/h7-10,14H,2-6H2,1H3,(H,15,16)
InChIKeyDDQOTENFGCLXGF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.23
Rot. Bonds5

About 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 61454626) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID61454626
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C13H19NO4S2/c1-2-11-7-8-12(19-11)20(17,18)14-10-5-3-9(4-6-10)13(15)16/h7-10,14H,2-6H2,1H3,(H,15,16)
InChIKeyDDQOTENFGCLXGF-UHFFFAOYSA-N
XLogP2.23
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 127470974
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
N-(5-azaspiro[3.5]nonan-8-yl)-5-ethylthiophene-2-sulfonamide
CID 61454324
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
1-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61454521

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 61454626) is 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid is CCc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DDQOTENFGCLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-2-11-7-8-12(19-11)20(17,18)14-10-5-3-9(4-6-10)13(15)16/h7-10,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61454626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).