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

C11H21N5O2S — CID 77093819

IUPACN-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCCn1ncnc1CN1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H21N5O2S/c1-3-16-11(12-9-13-16)8-15-6-4-10(5-7-15)14-19(2,17)18/h9-10,14H,3-8H2,1-2H3
InChIKeyXOHSGDQPVQWMSR-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.19
Rot. Bonds5

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

N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 77093819) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID77093819
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCCn1ncnc1CN1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H21N5O2S/c1-3-16-11(12-9-13-16)8-15-6-4-10(5-7-15)14-19(2,17)18/h9-10,14H,3-8H2,1-2H3
InChIKeyXOHSGDQPVQWMSR-UHFFFAOYSA-N
XLogP-0.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide (CID 77093819) is N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide is CCn1ncnc1CN1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is XOHSGDQPVQWMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-3-16-11(12-9-13-16)8-15-6-4-10(5-7-15)14-19(2,17)18/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 77093819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).