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

C15H22N8O2S — CID 118266151

IUPAC4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(N3CCCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H22N8O2S/c16-26(24,25)15-13(14-18-20-21-19-14)12(3-6-17-15)23-9-4-11(5-10-23)22-7-1-2-8-22/h3,6,11H,1-2,4-5,7-10H2,(H2,16,24,25)(H,18,19,20,21)
InChIKeyVUWXNKSMEUHYPF-UHFFFAOYSA-N
MW378.46 g/mol
LogP-0.03
Rot. Bonds4

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

4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266151) has the molecular formula C15H22N8O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266151
Molecular FormulaC15H22N8O2S
Molecular Weight378.46 g/mol
Exact Mass378.16
IUPAC Name4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(N3CCCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H22N8O2S/c16-26(24,25)15-13(14-18-20-21-19-14)12(3-6-17-15)23-9-4-11(5-10-23)22-7-1-2-8-22/h3,6,11H,1-2,4-5,7-10H2,(H2,16,24,25)(H,18,19,20,21)
InChIKeyVUWXNKSMEUHYPF-UHFFFAOYSA-N
XLogP-0.03
TPSA133.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266151) is 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCC(N3CCCC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is VUWXNKSMEUHYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2S/c16-26(24,25)15-13(14-18-20-21-19-14)12(3-6-17-15)23-9-4-11(5-10-23)22-7-1-2-8-22/h3,6,11H,1-2,4-5,7-10H2,(H2,16,24,25)(H,18,19,20,21).
What are the key properties of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).