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

C11H21N5O2S — CID 106303568

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H21N5O2S/c1-2-16-9-13-15-11(16)7-14-19(17,18)8-10-4-3-5-12-6-10/h9-10,12,14H,2-8H2,1H3
InChIKeyJMCMYADVZZSRSU-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.28
Rot. Bonds6

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 106303568) 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-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID106303568
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H21N5O2S/c1-2-16-9-13-15-11(16)7-14-19(17,18)8-10-4-3-5-12-6-10/h9-10,12,14H,2-8H2,1H3
InChIKeyJMCMYADVZZSRSU-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
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-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
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]piperidine-4-sulfonamide
CID 106303559
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 106304308

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 106303568) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is CCn1cnnc1CNS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is JMCMYADVZZSRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-2-16-9-13-15-11(16)7-14-19(17,18)8-10-4-3-5-12-6-10/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-3-ylmethanesulfonamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.28, 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-3-ylmethanesulfonamide is sourced from PubChem (CID 106303568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).