ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride

C14H23ClN2O5S — CID 120779372

IUPACethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)o1.Cl
InChIInChI=1S/C14H22N2O5S.ClH/c1-4-20-13(17)10-5-6-12(21-10)22(18,19)16-8-7-11(15)14(2,3)9-16;/h5-6,11H,4,7-9,15H2,1-3H3;1H
InChIKeyQJAMNVYVSYFVRK-UHFFFAOYSA-N
MW366.87 g/mol
LogP1.63
Rot. Bonds4

About ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride

ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride (PubChem CID 120779372) has the molecular formula C14H23ClN2O5S and a molecular weight of 366.87 g/mol. Its IUPAC name is ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride
PubChem CID120779372
Molecular FormulaC14H23ClN2O5S
Molecular Weight366.87 g/mol
Exact Mass366.10
IUPAC Nameethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)o1.Cl
InChIInChI=1S/C14H22N2O5S.ClH/c1-4-20-13(17)10-5-6-12(21-10)22(18,19)16-8-7-11(15)14(2,3)9-16;/h5-6,11H,4,7-9,15H2,1-3H3;1H
InChIKeyQJAMNVYVSYFVRK-UHFFFAOYSA-N
XLogP1.63
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120778987
ethyl 5-[4-[(4-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650662
ethyl 5-[3-(1-aminoethyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 119984436
ethyl 5-[4-[(1-methoxycarbonylcycloheptyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 47029743
ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55756486
ethyl 5-[[1-(5-ethoxycarbonylfuran-2-yl)sulfonylpiperidine-4-carbonyl]amino]thiadiazole-4-carboxylate
CID 55671086
methyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-3-carboxylate;hydrochloride
CID 120779109
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylate
CID 120778972
ethyl 5-[4-[(1-methoxycarbonyl-4-methylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55808924
ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55851016
ethyl 5-[4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650324
ethyl 5-[4-[2-[(2R)-oxolan-2-yl]acetyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 51949011

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride (CID 120779372) is ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)o1.Cl.
What is the InChIKey of ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride?
The InChIKey is QJAMNVYVSYFVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S.ClH/c1-4-20-13(17)10-5-6-12(21-10)22(18,19)16-8-7-11(15)14(2,3)9-16;/h5-6,11H,4,7-9,15H2,1-3H3;1H.
What are the key properties of ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride?
ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 120779372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).