[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H23ClN2O4S — CID 119491565

IUPAC[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C18H22N2O4S.ClH/c1-19-15-6-5-10-20(12-15)18(21)17-14(9-11-24-17)13-25(22,23)16-7-3-2-4-8-16;/h2-4,7-9,11,15,19H,5-6,10,12-13H2,1H3;1H
InChIKeyZQNHTFPLTIQFRC-UHFFFAOYSA-N
MW398.91 g/mol
LogP2.50
Rot. Bonds5

About [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119491565) has the molecular formula C18H23ClN2O4S and a molecular weight of 398.91 g/mol. Its IUPAC name is [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119491565
Molecular FormulaC18H23ClN2O4S
Molecular Weight398.91 g/mol
Exact Mass398.11
IUPAC Name[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C18H22N2O4S.ClH/c1-19-15-6-5-10-20(12-15)18(21)17-14(9-11-24-17)13-25(22,23)16-7-3-2-4-8-16;/h2-4,7-9,11,15,19H,5-6,10,12-13H2,1H3;1H
InChIKeyZQNHTFPLTIQFRC-UHFFFAOYSA-N
XLogP2.50
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 119380119
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971189
[3-(benzenesulfonylmethyl)furan-2-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637818
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(benzenesulfonylmethyl)furan-2-yl]methanone;hydrochloride
CID 120659603
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 35131631
[(3S)-3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]methanone
CID 124575208
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119491565) is [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1.Cl.
What is the InChIKey of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ZQNHTFPLTIQFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S.ClH/c1-19-15-6-5-10-20(12-15)18(21)17-14(9-11-24-17)13-25(22,23)16-7-3-2-4-8-16;/h2-4,7-9,11,15,19H,5-6,10,12-13H2,1H3;1H.
What are the key properties of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 398.91 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119491565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).