2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride

C16H25ClN2O5S — CID 129008374

IUPAC2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride
SMILESCCN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H24N2O5S.ClH/c1-3-17(12-16(19)20)13-8-10-18(11-9-13)24(21,22)15-6-4-14(23-2)5-7-15;/h4-7,13H,3,8-12H2,1-2H3,(H,19,20);1H
InChIKeyZMPQFTBKVFUCIU-UHFFFAOYSA-N
MW392.91 g/mol
LogP1.68
Rot. Bonds7

About 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride

2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride (PubChem CID 129008374) has the molecular formula C16H25ClN2O5S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride
PubChem CID129008374
Molecular FormulaC16H25ClN2O5S
Molecular Weight392.91 g/mol
Exact Mass392.12
IUPAC Name2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride
SMILESCCN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H24N2O5S.ClH/c1-3-17(12-16(19)20)13-8-10-18(11-9-13)24(21,22)15-6-4-14(23-2)5-7-15;/h4-7,13H,3,8-12H2,1-2H3,(H,19,20);1H
InChIKeyZMPQFTBKVFUCIU-UHFFFAOYSA-N
XLogP1.68
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]-ethylamino]acetic acid;hydrochloride
CID 129004445
2-[ethyl-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid
CID 128997282
N-benzyl-1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidin-4-amine;oxalic acid
CID 2912099
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
2-[[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-4-yl]-ethylamino]acetic acid
CID 129008381
N-cyclohexyl-N-ethyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8687308
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride (CID 129008374) is 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride is CCN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride?
The InChIKey is ZMPQFTBKVFUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S.ClH/c1-3-17(12-16(19)20)13-8-10-18(11-9-13)24(21,22)15-6-4-14(23-2)5-7-15;/h4-7,13H,3,8-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride?
2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 129008374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).