N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide

C10H17N5O3S — CID 112530428

IUPACN-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C10H17N5O3S/c1-19(17,18)13-9-7-11-15(12-9)8-10(16)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13)
InChIKeyQYMKRZZXTNDWFQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.34
Rot. Bonds4

About N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide

N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide (PubChem CID 112530428) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide
PubChem CID112530428
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC NameN-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C10H17N5O3S/c1-19(17,18)13-9-7-11-15(12-9)8-10(16)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13)
InChIKeyQYMKRZZXTNDWFQ-UHFFFAOYSA-N
XLogP-0.34
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide (CID 112530428) is N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(CC(=O)N2CCCCC2)n1.
What is the InChIKey of N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
The InChIKey is QYMKRZZXTNDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-19(17,18)13-9-7-11-15(12-9)8-10(16)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112530428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).