N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide

C9H17N5O3S — CID 104818566

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C9H17N5O3S/c1-2-17-9-10-8(11-12-9)13-18(15,16)14-6-4-3-5-7-14/h2-7H2,1H3,(H2,10,11,12,13)
InChIKeyWMAHCJJJMKWBGP-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.35
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide (PubChem CID 104818566) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
PubChem CID104818566
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C9H17N5O3S/c1-2-17-9-10-8(11-12-9)13-18(15,16)14-6-4-3-5-7-14/h2-7H2,1H3,(H2,10,11,12,13)
InChIKeyWMAHCJJJMKWBGP-UHFFFAOYSA-N
XLogP0.35
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
CID 15131166
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methylpiperidine-1-sulfonamide
CID 83095312
N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
CID 83095398
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpiperidine-1-sulfonamide
CID 83096457
5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
CID 83096536
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylpiperidine-1-sulfonamide
CID 83101178
N-(3-methoxy-1H-1,2,4-triazol-5-yl)azepane-1-sulfonamide
CID 83101280
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethylpiperidine-1-sulfonamide
CID 83101411
5-(dipropylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83101412
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 83101870
5-[[butyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
CID 83101986
5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
CID 104818481

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide (CID 104818566) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide is CCOc1n[nH]c(NS(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is WMAHCJJJMKWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-2-17-9-10-8(11-12-9)13-18(15,16)14-6-4-3-5-7-14/h2-7H2,1H3,(H2,10,11,12,13).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 104818566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).