N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide

C10H19N5O2S — CID 63330269

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C10H19N5O2S/c1-15-8-12-14-10(15)4-6-13-18(16,17)9-3-2-5-11-7-9/h8-9,11,13H,2-7H2,1H3
InChIKeyVPECWIVWRPHSTL-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.97
Rot. Bonds5

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide (PubChem CID 63330269) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide
PubChem CID63330269
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C10H19N5O2S/c1-15-8-12-14-10(15)4-6-13-18(16,17)9-3-2-5-11-7-9/h8-9,11,13H,2-7H2,1H3
InChIKeyVPECWIVWRPHSTL-UHFFFAOYSA-N
XLogP-0.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.97
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]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
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-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
CID 79242655
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-sulfonamide
CID 106049183
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 63332774
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413
N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 62636011
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane
CID 176697634
N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide
CID 106049253

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide (CID 63330269) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide is Cn1cnnc1CCNS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide?
The InChIKey is VPECWIVWRPHSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-15-8-12-14-10(15)4-6-13-18(16,17)9-3-2-5-11-7-9/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.97, 5 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]piperidine-3-sulfonamide is sourced from PubChem (CID 63330269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).