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

C11H21N5O2S — CID 55038343

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C11H21N5O2S/c1-16-9-13-15-11(16)8-14-19(17,18)7-5-10-4-2-3-6-12-10/h9-10,12,14H,2-8H2,1H3
InChIKeyITIRSQSIUSXNOQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.23
Rot. Bonds6

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide (PubChem CID 55038343) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
PubChem CID55038343
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C11H21N5O2S/c1-16-9-13-15-11(16)8-14-19(17,18)7-5-10-4-2-3-6-12-10/h9-10,12,14H,2-8H2,1H3
InChIKeyITIRSQSIUSXNOQ-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
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-2-ylmethanesulfonamide
CID 106303557
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62846320
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide
CID 106303221
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 106382408
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide (CID 55038343) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide is Cn1cnnc1CNS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The InChIKey is ITIRSQSIUSXNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-16-9-13-15-11(16)8-14-19(17,18)7-5-10-4-2-3-6-12-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 55038343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).