1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide

C11H19N5O3S — CID 103722966

IUPAC1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ncn[nH]1
InChIInChI=1S/C11H19N5O3S/c1-8(10-12-7-13-15-10)14-11(17)9-3-5-16(6-4-9)20(2,18)19/h7-9H,3-6H2,1-2H3,(H,14,17)(H,12,13,15)
InChIKeyCUPWZXDHQZOPGK-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.35
Rot. Bonds4

About 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 103722966) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID103722966
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ncn[nH]1
InChIInChI=1S/C11H19N5O3S/c1-8(10-12-7-13-15-10)14-11(17)9-3-5-16(6-4-9)20(2,18)19/h7-9H,3-6H2,1-2H3,(H,14,17)(H,12,13,15)
InChIKeyCUPWZXDHQZOPGK-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103716542
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
CID 114239296
1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
CID 103716377
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19469142
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 103912454
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 114168038
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide (CID 103722966) is 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ncn[nH]1.
What is the InChIKey of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CUPWZXDHQZOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-8(10-12-7-13-15-10)14-11(17)9-3-5-16(6-4-9)20(2,18)19/h7-9H,3-6H2,1-2H3,(H,14,17)(H,12,13,15).
What are the key properties of 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 103722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).