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

C11H19N5O4S — CID 83090467

IUPAC1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2nc(OC)n[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-3-21(18,19)16-6-4-8(5-7-16)9(17)12-10-13-11(20-2)15-14-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyVIMAWNDKAFLWTM-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.19
Rot. Bonds5

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

1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide (PubChem CID 83090467) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
PubChem CID83090467
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2nc(OC)n[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-3-21(18,19)16-6-4-8(5-7-16)9(17)12-10-13-11(20-2)15-14-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyVIMAWNDKAFLWTM-UHFFFAOYSA-N
XLogP-0.19
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide
CID 83085520
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127200
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
CID 83093695
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide (CID 83090467) is 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2nc(OC)n[nH]2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
The InChIKey is VIMAWNDKAFLWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-3-21(18,19)16-6-4-8(5-7-16)9(17)12-10-13-11(20-2)15-14-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 83090467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).