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

C9H15N5O4S — CID 112530719

IUPACN-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCC(O)C2)n1
InChIInChI=1S/C9H15N5O4S/c1-19(17,18)12-8-4-10-14(11-8)6-9(16)13-3-2-7(15)5-13/h4,7,15H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyVLQLKQPRZBDQJT-UHFFFAOYSA-N
MW289.32 g/mol
LogP-1.76
Rot. Bonds4

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

N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112530719) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112530719
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC NameN-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCC(O)C2)n1
InChIInChI=1S/C9H15N5O4S/c1-19(17,18)12-8-4-10-14(11-8)6-9(16)13-3-2-7(15)5-13/h4,7,15H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyVLQLKQPRZBDQJT-UHFFFAOYSA-N
XLogP-1.76
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-1.76
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-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112530719) is N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(CC(=O)N2CCC(O)C2)n1.
What is the InChIKey of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is VLQLKQPRZBDQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c1-19(17,18)12-8-4-10-14(11-8)6-9(16)13-3-2-7(15)5-13/h4,7,15H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide has a molecular weight of 289.32 g/mol, XLogP of -1.76, 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-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112530719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).