4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C15H22N8O3S — CID 118266070

IUPAC4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(N3CCOCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H22N8O3S/c16-27(24,25)15-13(14-18-20-21-19-14)12(1-4-17-15)23-5-2-11(3-6-23)22-7-9-26-10-8-22/h1,4,11H,2-3,5-10H2,(H2,16,24,25)(H,18,19,20,21)
InChIKeyRNNTWJCAOPNFNY-UHFFFAOYSA-N
MW394.46 g/mol
LogP-0.79
Rot. Bonds4

About 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266070) has the molecular formula C15H22N8O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266070
Molecular FormulaC15H22N8O3S
Molecular Weight394.46 g/mol
Exact Mass394.15
IUPAC Name4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(N3CCOCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H22N8O3S/c16-27(24,25)15-13(14-18-20-21-19-14)12(1-4-17-15)23-5-2-11(3-6-23)22-7-9-26-10-8-22/h1,4,11H,2-3,5-10H2,(H2,16,24,25)(H,18,19,20,21)
InChIKeyRNNTWJCAOPNFNY-UHFFFAOYSA-N
XLogP-0.79
TPSA143.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 5-0.79
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-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266070) is 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCC(N3CCOCC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is RNNTWJCAOPNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O3S/c16-27(24,25)15-13(14-18-20-21-19-14)12(1-4-17-15)23-5-2-11(3-6-23)22-7-9-26-10-8-22/h1,4,11H,2-3,5-10H2,(H2,16,24,25)(H,18,19,20,21).
What are the key properties of 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).