1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid

C17H26N6O4S — CID 131946419

IUPAC1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)C1
InChIInChI=1S/C17H26N6O4S/c24-15(25)14-2-1-3-22(9-14)28(26,27)20-16-5-12-4-13(6-16)8-17(7-12,10-16)23-19-11-18-21-23/h11-14,20H,1-10H2,(H,24,25)
InChIKeyWWTNYQTVXGSXNF-UHFFFAOYSA-N
MW410.50 g/mol
LogP0.35
Rot. Bonds5

About 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid

1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 131946419) has the molecular formula C17H26N6O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid
PubChem CID131946419
Molecular FormulaC17H26N6O4S
Molecular Weight410.50 g/mol
Exact Mass410.17
IUPAC Name1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)C1
InChIInChI=1S/C17H26N6O4S/c24-15(25)14-2-1-3-22(9-14)28(26,27)20-16-5-12-4-13(6-16)8-17(7-12,10-16)23-19-11-18-21-23/h11-14,20H,1-10H2,(H,24,25)
InChIKeyWWTNYQTVXGSXNF-UHFFFAOYSA-N
XLogP0.35
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859075
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 107848198
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 51075647
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 81043349
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
(3S)-1-tert-butylsulfonylpiperidine-3-carboxylic acid
CID 81126424
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid (CID 131946419) is 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)C1.
What is the InChIKey of 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is WWTNYQTVXGSXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4S/c24-15(25)14-2-1-3-22(9-14)28(26,27)20-16-5-12-4-13(6-16)8-17(7-12,10-16)23-19-11-18-21-23/h11-14,20H,1-10H2,(H,24,25).
What are the key properties of 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid?
1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 410.50 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(tetrazol-2-yl)-1-adamantyl]sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 131946419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).