N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide

C11H21N5O2S — CID 106303557

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)CC1CCCCN1
InChIInChI=1S/C11H21N5O2S/c1-2-16-9-13-15-11(16)7-14-19(17,18)8-10-5-3-4-6-12-10/h9-10,12,14H,2-8H2,1H3
InChIKeyQJGDSIRMNBLCNQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.14
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide (PubChem CID 106303557) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
PubChem CID106303557
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)CC1CCCCN1
InChIInChI=1S/C11H21N5O2S/c1-2-16-9-13-15-11(16)7-14-19(17,18)8-10-5-3-4-6-12-10/h9-10,12,14H,2-8H2,1H3
InChIKeyQJGDSIRMNBLCNQ-UHFFFAOYSA-N
XLogP-0.14
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide
CID 106303221
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide
CID 106303559
1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79242493
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 106304308
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 106304410
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methylpiperidin-2-yl)acetamide
CID 106303216
N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974228
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide (CID 106303557) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide is CCn1cnnc1CNS(=O)(=O)CC1CCCCN1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is QJGDSIRMNBLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-2-16-9-13-15-11(16)7-14-19(17,18)8-10-5-3-4-6-12-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 106303557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).