2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid

C12H17NO4S2 — CID 115284282

IUPAC2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C12H17NO4S2/c14-12(15)11(10-7-4-8-18-10)13-19(16,17)9-5-2-1-3-6-9/h4,7-9,11,13H,1-3,5-6H2,(H,14,15)
InChIKeyRSTRHYXZLYPAIV-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.13
Rot. Bonds5

About 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid

2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115284282) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
PubChem CID115284282
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C12H17NO4S2/c14-12(15)11(10-7-4-8-18-10)13-19(16,17)9-5-2-1-3-6-9/h4,7-9,11,13H,1-3,5-6H2,(H,14,15)
InChIKeyRSTRHYXZLYPAIV-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284341
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284374
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229
2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid (CID 115284282) is 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid is O=C(O)C(NS(=O)(=O)C1CCCCC1)c1cccs1.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is RSTRHYXZLYPAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c14-12(15)11(10-7-4-8-18-10)13-19(16,17)9-5-2-1-3-6-9/h4,7-9,11,13H,1-3,5-6H2,(H,14,15).
What are the key properties of 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid?
2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 303.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).