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

C9H17N5O2S — CID 113345805

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1)c1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c1-8(9-10-7-11-12-9)13-17(15,16)14-5-3-2-4-6-14/h7-8,13H,2-6H2,1H3,(H,10,11,12)
InChIKeyOYKCZRIPKMXBRU-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.19
Rot. Bonds4

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

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 113345805) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
PubChem CID113345805
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1)c1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c1-8(9-10-7-11-12-9)13-17(15,16)14-5-3-2-4-6-14/h7-8,13H,2-6H2,1H3,(H,10,11,12)
InChIKeyOYKCZRIPKMXBRU-UHFFFAOYSA-N
XLogP0.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 103912454
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103716542
propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate
CID 114167984
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 103722966
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
CID 114239296
1,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 103885464
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide (CID 113345805) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCCC1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is OYKCZRIPKMXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-8(9-10-7-11-12-9)13-17(15,16)14-5-3-2-4-6-14/h7-8,13H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 113345805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).