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

C13H23N5O3S — CID 51107574

IUPAC1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C13H23N5O3S/c1-4-22(20,21)18-7-5-10(6-8-18)12(19)15-13-14-11(9(2)3)16-17-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,19)
InChIKeyGYJHOHDRDHBWLI-UHFFFAOYSA-N
MW329.43 g/mol
LogP0.93
Rot. Bonds5

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

1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 51107574) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID51107574
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C13H23N5O3S/c1-4-22(20,21)18-7-5-10(6-8-18)12(19)15-13-14-11(9(2)3)16-17-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,19)
InChIKeyGYJHOHDRDHBWLI-UHFFFAOYSA-N
XLogP0.93
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 36580708
4-(3-Methyl-1H-1,2,4-triazol-5-YL)-1-(propane-2-sulfonyl)pyrrolidine-3-carboxamide
CID 91911169
1-(Butane-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91911170
1-propylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 47053185
(3S)-1-propylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 52285447
(3R)-1-propylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 52285449
1-butylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 155944633
1-ethylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 155946934
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-ethylsulfonylpiperidine
CID 53590124
(1-butylsulfonylpiperidin-4-yl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 56379332
1-butylsulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 60506719
1-ethylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
CID 60983695

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 51107574) is 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is GYJHOHDRDHBWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-4-22(20,21)18-7-5-10(6-8-18)12(19)15-13-14-11(9(2)3)16-17-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,19).
What are the key properties of 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51107574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).