(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone

C17H20N2O4S — CID 119380119

IUPAC(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
SMILESNC1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H20N2O4S/c18-14-5-4-9-19(11-14)17(20)16-13(8-10-23-16)12-24(21,22)15-6-2-1-3-7-15/h1-3,6-8,10,14H,4-5,9,11-12,18H2
InChIKeySOPNRQMWZNDNLM-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.82
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone

(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone (PubChem CID 119380119) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
PubChem CID119380119
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
SMILESNC1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H20N2O4S/c18-14-5-4-9-19(11-14)17(20)16-13(8-10-23-16)12-24(21,22)15-6-2-1-3-7-15/h1-3,6-8,10,14H,4-5,9,11-12,18H2
InChIKeySOPNRQMWZNDNLM-UHFFFAOYSA-N
XLogP1.82
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone (CID 119380119) is (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone is NC1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone?
The InChIKey is SOPNRQMWZNDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c18-14-5-4-9-19(11-14)17(20)16-13(8-10-23-16)12-24(21,22)15-6-2-1-3-7-15/h1-3,6-8,10,14H,4-5,9,11-12,18H2.
What are the key properties of (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone?
(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone has a molecular weight of 348.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 119380119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).