2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide

C12H22N4O4S — CID 131907581

IUPAC2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCOCC1CCCN1S(=O)(=O)NCc1noc(C(C)C)n1
InChIInChI=1S/C12H22N4O4S/c1-9(2)12-14-11(15-20-12)7-13-21(17,18)16-6-4-5-10(16)8-19-3/h9-10,13H,4-8H2,1-3H3
InChIKeyVAZMRTASECJGAY-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.64
Rot. Bonds7

About 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide

2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 131907581) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID131907581
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Name2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCOCC1CCCN1S(=O)(=O)NCc1noc(C(C)C)n1
InChIInChI=1S/C12H22N4O4S/c1-9(2)12-14-11(15-20-12)7-13-21(17,18)16-6-4-5-10(16)8-19-3/h9-10,13H,4-8H2,1-3H3
InChIKeyVAZMRTASECJGAY-UHFFFAOYSA-N
XLogP0.64
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide (CID 131907581) is 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide is COCC1CCCN1S(=O)(=O)NCc1noc(C(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is VAZMRTASECJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-9(2)12-14-11(15-20-12)7-13-21(17,18)16-6-4-5-10(16)8-19-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131907581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).