ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate

C13H20N2O4S2 — CID 61301354

IUPACethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NS(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-19-13(16)9-3-5-11(6-4-9)15-21(17,18)12-7-10(14)8-20-12/h7-9,11,15H,2-6,14H2,1H3
InChIKeyAEDXBXGOYIBODM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.73
Rot. Bonds5

About ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate

ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 61301354) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
PubChem CID61301354
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Nameethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NS(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-19-13(16)9-3-5-11(6-4-9)15-21(17,18)12-7-10(14)8-20-12/h7-9,11,15H,2-6,14H2,1H3
InChIKeyAEDXBXGOYIBODM-UHFFFAOYSA-N
XLogP1.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3-methoxycyclopentyl)thiophene-2-sulfonamide
CID 114117893
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929
4-amino-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 61300548
4-amino-N-(3,4-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64740663
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
CID 61299995
ethyl 4-[(4-chlorothiophen-2-yl)methylamino]cyclohexane-1-carboxylate
CID 79419998
ethyl 4-[[2-(4-aminophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 119738178
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
CID 115149178
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate (CID 61301354) is ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NS(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is AEDXBXGOYIBODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-19-13(16)9-3-5-11(6-4-9)15-21(17,18)12-7-10(14)8-20-12/h7-9,11,15H,2-6,14H2,1H3.
What are the key properties of ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate?
ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-aminothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 61301354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).