ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate

C13H19NO4S2 — CID 51117335

IUPACethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2cccs2)CCCCC1
InChIInChI=1S/C13H19NO4S2/c1-2-18-12(15)13(8-4-3-5-9-13)14-20(16,17)11-7-6-10-19-11/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyZKACXZXBXSOXET-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.29
Rot. Bonds5

About ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate

ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate (PubChem CID 51117335) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
PubChem CID51117335
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Nameethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2cccs2)CCCCC1
InChIInChI=1S/C13H19NO4S2/c1-2-18-12(15)13(8-4-3-5-9-13)14-20(16,17)11-7-6-10-19-11/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyZKACXZXBXSOXET-UHFFFAOYSA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(thiophen-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123756
1-(thiophen-2-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61124079
ethyl 1-[(4-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 60539774
3-methyl-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61291839
N-ethyl-1-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 51123545
methyl 1-[(5-chlorothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 31854379
1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid
CID 166265728
N-(1-methylcyclopropyl)thiophene-2-sulfonamide
CID 130660498
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105
ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 55968963
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate (CID 51117335) is ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NS(=O)(=O)c2cccs2)CCCCC1.
What is the InChIKey of ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is ZKACXZXBXSOXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-2-18-12(15)13(8-4-3-5-9-13)14-20(16,17)11-7-6-10-19-11/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate?
ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 51117335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).