N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide

C9H17N5O2S — CID 64530904

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)N1CCCCC1
InChIInChI=1S/C9H17N5O2S/c15-17(16,14-6-2-1-3-7-14)12-5-4-9-10-8-11-13-9/h8,12H,1-7H2,(H,10,11,13)
InChIKeyDUUUGTIBKGSKGQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.33
Rot. Bonds5

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 64530904) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
PubChem CID64530904
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)N1CCCCC1
InChIInChI=1S/C9H17N5O2S/c15-17(16,14-6-2-1-3-7-14)12-5-4-9-10-8-11-13-9/h8,12H,1-7H2,(H,10,11,13)
InChIKeyDUUUGTIBKGSKGQ-UHFFFAOYSA-N
XLogP-0.33
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 64547804
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
CID 131890041
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 79579464
N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780
N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 126835078
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042
N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
CID 64531690
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
3-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide (CID 64530904) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide is O=S(=O)(NCCc1ncn[nH]1)N1CCCCC1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is DUUUGTIBKGSKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c15-17(16,14-6-2-1-3-7-14)12-5-4-9-10-8-11-13-9/h8,12H,1-7H2,(H,10,11,13).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 64530904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).