molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine

C21H27N5O3S2 — CID 145285304

IUPACmolecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCCC1.[H][H].c1ccncc1
InChIInChI=1S/C16H20N4O3S2.C5H5N.H2/c21-25(22,19-16-17-11-18-24-16)12-4-5-13-14(6-9-23-15(13)10-12)20-7-2-1-3-8-20;1-2-4-6-5-3-1;/h4-5,10-11,14H,1-3,6-9H2,(H,17,18,19);1-5H;1H/t14-;;/m1../s1
InChIKeyNKUQPEMHTPMJMS-FMOMHUKBSA-N
MW461.61 g/mol
LogP3.98
Rot. Bonds4

About molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine

molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine (PubChem CID 145285304) has the molecular formula C21H27N5O3S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine.

Molecular Properties

Compound Namemolecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine
PubChem CID145285304
Molecular FormulaC21H27N5O3S2
Molecular Weight461.61 g/mol
Exact Mass461.16
IUPAC Namemolecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCCC1.[H][H].c1ccncc1
InChIInChI=1S/C16H20N4O3S2.C5H5N.H2/c21-25(22,19-16-17-11-18-24-16)12-4-5-13-14(6-9-23-15(13)10-12)20-7-2-1-3-8-20;1-2-4-6-5-3-1;/h4-5,10-11,14H,1-3,6-9H2,(H,17,18,19);1-5H;1H/t14-;;/m1../s1
InChIKeyNKUQPEMHTPMJMS-FMOMHUKBSA-N
XLogP3.98
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine?
The IUPAC name of molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine (CID 145285304) is molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine.
What is the SMILES notation for molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine?
The canonical SMILES for molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine is O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCCC1.[H][H].c1ccncc1.
What is the InChIKey of molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine?
The InChIKey is NKUQPEMHTPMJMS-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H20N4O3S2.C5H5N.H2/c21-25(22,19-16-17-11-18-24-16)12-4-5-13-14(6-9-23-15(13)10-12)20-7-2-1-3-8-20;1-2-4-6-5-3-1;/h4-5,10-11,14H,1-3,6-9H2,(H,17,18,19);1-5H;1H/t14-;;/m1../s1.
What are the key properties of molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine?
molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine has a molecular weight of 461.61 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine is sourced from PubChem (CID 145285304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).