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

C10H17N5O4S — CID 112530907

IUPACN-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)13-9-5-11-15(12-9)7-10(17)14-4-2-3-8(16)6-14/h5,8,16H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyDMZRJTXMSWNNME-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.37
Rot. Bonds4

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

N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112530907) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112530907
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC NameN-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)13-9-5-11-15(12-9)7-10(17)14-4-2-3-8(16)6-14/h5,8,16H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyDMZRJTXMSWNNME-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-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112530907) is N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(CC(=O)N2CCCC(O)C2)n1.
What is the InChIKey of N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is DMZRJTXMSWNNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-20(18,19)13-9-5-11-15(12-9)7-10(17)14-4-2-3-8(16)6-14/h5,8,16H,2-4,6-7H2,1H3,(H,12,13).
What are the key properties of N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[2-[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-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112530907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).