1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

C11H19N5O3S — CID 78927783

IUPAC1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C)n2)CC1
InChIInChI=1S/C11H19N5O3S/c1-3-20(18,19)16-6-4-9(5-7-16)10(17)13-11-12-8(2)14-15-11/h9H,3-7H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyZIZZJLNBGWKQRK-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.11
Rot. Bonds4

About 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 78927783) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID78927783
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C)n2)CC1
InChIInChI=1S/C11H19N5O3S/c1-3-20(18,19)16-6-4-9(5-7-16)10(17)13-11-12-8(2)14-15-11/h9H,3-7H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyZIZZJLNBGWKQRK-UHFFFAOYSA-N
XLogP0.11
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 78927783) is 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C)n2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is ZIZZJLNBGWKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-20(18,19)16-6-4-9(5-7-16)10(17)13-11-12-8(2)14-15-11/h9H,3-7H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78927783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).