4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide

C14H20N2O3S — CID 135336331

IUPAC4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OCCC2N1CCCCC1
InChIInChI=1S/C14H20N2O3S/c15-20(17,18)11-4-5-12-13(6-9-19-14(12)10-11)16-7-2-1-3-8-16/h4-5,10,13H,1-3,6-9H2,(H2,15,17,18)
InChIKeyIUGSBKGSNUUVSM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.64
Rot. Bonds2

About 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide

4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135336331) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID135336331
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OCCC2N1CCCCC1
InChIInChI=1S/C14H20N2O3S/c15-20(17,18)11-4-5-12-13(6-9-19-14(12)10-11)16-7-2-1-3-8-16/h4-5,10,13H,1-3,6-9H2,(H2,15,17,18)
InChIKeyIUGSBKGSNUUVSM-UHFFFAOYSA-N
XLogP1.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135336331) is 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)OCCC2N1CCCCC1.
What is the InChIKey of 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is IUGSBKGSNUUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-20(17,18)11-4-5-12-13(6-9-19-14(12)10-11)16-7-2-1-3-8-16/h4-5,10,13H,1-3,6-9H2,(H2,15,17,18).
What are the key properties of 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135336331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).