ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate

C13H20N2O5S — CID 47071939

IUPACethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1
InChIInChI=1S/C13H20N2O5S/c1-4-19-12(16)13(7-5-6-8-13)15-21(17,18)11-9(2)14-20-10(11)3/h15H,4-8H2,1-3H3
InChIKeyIPOGFHJKQDAEGB-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.45
Rot. Bonds5

About ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate

ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate (PubChem CID 47071939) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
PubChem CID47071939
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Nameethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1
InChIInChI=1S/C13H20N2O5S/c1-4-19-12(16)13(7-5-6-8-13)15-21(17,18)11-9(2)14-20-10(11)3/h15H,4-8H2,1-3H3
InChIKeyIPOGFHJKQDAEGB-UHFFFAOYSA-N
XLogP1.45
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
CID 119505712
N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 120505759
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119223574
3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119220960
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120651592
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
CID 119358864
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120607149
ethyl 1-[(4-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 60539774
ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 51117335
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate (CID 47071939) is ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate is CCOC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1.
What is the InChIKey of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate?
The InChIKey is IPOGFHJKQDAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-19-12(16)13(7-5-6-8-13)15-21(17,18)11-9(2)14-20-10(11)3/h15H,4-8H2,1-3H3.
What are the key properties of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate?
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 47071939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).