4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C16H24N8O3S — CID 118266158

IUPAC4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(CN3CCOCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C16H24N8O3S/c17-28(25,26)16-14(15-19-21-22-20-15)13(1-4-18-16)24-5-2-12(3-6-24)11-23-7-9-27-10-8-23/h1,4,12H,2-3,5-11H2,(H2,17,25,26)(H,19,20,21,22)
InChIKeyAEWRNRLAOOHTMU-UHFFFAOYSA-N
MW408.49 g/mol
LogP-0.54
Rot. Bonds5

About 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266158) has the molecular formula C16H24N8O3S and a molecular weight of 408.49 g/mol. Its IUPAC name is 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266158
Molecular FormulaC16H24N8O3S
Molecular Weight408.49 g/mol
Exact Mass408.17
IUPAC Name4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(CN3CCOCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C16H24N8O3S/c17-28(25,26)16-14(15-19-21-22-20-15)13(1-4-18-16)24-5-2-12(3-6-24)11-23-7-9-27-10-8-23/h1,4,12H,2-3,5-11H2,(H2,17,25,26)(H,19,20,21,22)
InChIKeyAEWRNRLAOOHTMU-UHFFFAOYSA-N
XLogP-0.54
TPSA143.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266158) is 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCC(CN3CCOCC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is AEWRNRLAOOHTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O3S/c17-28(25,26)16-14(15-19-21-22-20-15)13(1-4-18-16)24-5-2-12(3-6-24)11-23-7-9-27-10-8-23/h1,4,12H,2-3,5-11H2,(H2,17,25,26)(H,19,20,21,22).
What are the key properties of 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 408.49 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).