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

C17H26N8O3S — CID 118266152

IUPAC4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCC(C1CCN(c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1)N1CCOCC1
InChIInChI=1S/C17H26N8O3S/c1-12(24-8-10-28-11-9-24)13-3-6-25(7-4-13)14-2-5-19-17(29(18,26)27)15(14)16-20-22-23-21-16/h2,5,12-13H,3-4,6-11H2,1H3,(H2,18,26,27)(H,20,21,22,23)
InChIKeyXNJXGFOOZWMNJD-UHFFFAOYSA-N
MW422.52 g/mol
LogP-0.15
Rot. Bonds5

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

4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266152) has the molecular formula C17H26N8O3S and a molecular weight of 422.52 g/mol. Its IUPAC name is 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266152
Molecular FormulaC17H26N8O3S
Molecular Weight422.52 g/mol
Exact Mass422.18
IUPAC Name4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCC(C1CCN(c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1)N1CCOCC1
InChIInChI=1S/C17H26N8O3S/c1-12(24-8-10-28-11-9-24)13-3-6-25(7-4-13)14-2-5-19-17(29(18,26)27)15(14)16-20-22-23-21-16/h2,5,12-13H,3-4,6-11H2,1H3,(H2,18,26,27)(H,20,21,22,23)
InChIKeyXNJXGFOOZWMNJD-UHFFFAOYSA-N
XLogP-0.15
TPSA143.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266152) is 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is CC(C1CCN(c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1)N1CCOCC1.
What is the InChIKey of 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is XNJXGFOOZWMNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O3S/c1-12(24-8-10-28-11-9-24)13-3-6-25(7-4-13)14-2-5-19-17(29(18,26)27)15(14)16-20-22-23-21-16/h2,5,12-13H,3-4,6-11H2,1H3,(H2,18,26,27)(H,20,21,22,23).
What are the key properties of 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 422.52 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).