1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

C11H19N5O3S — CID 60983695

IUPAC1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-20(18,19)16-5-3-9(4-6-16)11(17)12-7-10-13-8-14-15-10/h8-9H,2-7H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyLILDFGWWHSNLFK-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.52
Rot. Bonds5

About 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 60983695) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID60983695
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-20(18,19)16-5-3-9(4-6-16)11(17)12-7-10-13-8-14-15-10/h8-9H,2-7H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyLILDFGWWHSNLFK-UHFFFAOYSA-N
XLogP-0.52
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (CID 60983695) is 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ncn[nH]2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LILDFGWWHSNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-2-20(18,19)16-5-3-9(4-6-16)11(17)12-7-10-13-8-14-15-10/h8-9H,2-7H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60983695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).