N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

C10H17N5O4S — CID 112530911

IUPACN-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)N2CCCC(O)C2)nn1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)12-9-6-15(13-11-9)7-10(17)14-4-2-3-8(16)5-14/h6,8,12,16H,2-5,7H2,1H3
InChIKeyMIOUYIRKAJEXRE-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.37
Rot. Bonds4

About N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112530911) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112530911
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC NameN-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)N2CCCC(O)C2)nn1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)12-9-6-15(13-11-9)7-10(17)14-4-2-3-8(16)5-14/h6,8,12,16H,2-5,7H2,1H3
InChIKeyMIOUYIRKAJEXRE-UHFFFAOYSA-N
XLogP-1.37
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112530911) is N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cn(CC(=O)N2CCCC(O)C2)nn1.
What is the InChIKey of N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is MIOUYIRKAJEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-20(18,19)12-9-6-15(13-11-9)7-10(17)14-4-2-3-8(16)5-14/h6,8,12,16H,2-5,7H2,1H3.
What are the key properties of N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112530911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).