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

C11H21N5O2S — CID 55201911

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H21N5O2S/c1-16-9-13-15-11(16)4-6-14-19(17,18)8-10-3-2-5-12-7-10/h9-10,12,14H,2-8H2,1H3
InChIKeyMUCUMTJUCMQHHT-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.72
Rot. Bonds6

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 55201911) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID55201911
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H21N5O2S/c1-16-9-13-15-11(16)4-6-14-19(17,18)8-10-3-2-5-12-7-10/h9-10,12,14H,2-8H2,1H3
InChIKeyMUCUMTJUCMQHHT-UHFFFAOYSA-N
XLogP-0.72
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 ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide
CID 63330269
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 63330246
5-methylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-3-ylpyrimidin-2-amine
CID 70753406
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
CID 113413001
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane
CID 176697634
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972407
3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064148
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide (CID 55201911) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide is Cn1cnnc1CCNS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is MUCUMTJUCMQHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-16-9-13-15-11(16)4-6-14-19(17,18)8-10-3-2-5-12-7-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 55201911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).