N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide

C17H28N4O5S — CID 167145758

IUPACN-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide
SMILESCOCC1C(NS(=O)(=O)C(C)C)CCCN1C(=O)COc1nccnc1C
InChIInChI=1S/C17H28N4O5S/c1-12(2)27(23,24)20-14-6-5-9-21(15(14)10-25-4)16(22)11-26-17-13(3)18-7-8-19-17/h7-8,12,14-15,20H,5-6,9-11H2,1-4H3
InChIKeyBKAJYWMXWZLHCW-UHFFFAOYSA-N
MW400.50 g/mol
LogP0.50
Rot. Bonds8

About N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide

N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide (PubChem CID 167145758) has the molecular formula C17H28N4O5S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide
PubChem CID167145758
Molecular FormulaC17H28N4O5S
Molecular Weight400.50 g/mol
Exact Mass400.18
IUPAC NameN-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide
SMILESCOCC1C(NS(=O)(=O)C(C)C)CCCN1C(=O)COc1nccnc1C
InChIInChI=1S/C17H28N4O5S/c1-12(2)27(23,24)20-14-6-5-9-21(15(14)10-25-4)16(22)11-26-17-13(3)18-7-8-19-17/h7-8,12,14-15,20H,5-6,9-11H2,1-4H3
InChIKeyBKAJYWMXWZLHCW-UHFFFAOYSA-N
XLogP0.50
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide (CID 167145758) is N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide is COCC1C(NS(=O)(=O)C(C)C)CCCN1C(=O)COc1nccnc1C.
What is the InChIKey of N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide?
The InChIKey is BKAJYWMXWZLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S/c1-12(2)27(23,24)20-14-6-5-9-21(15(14)10-25-4)16(22)11-26-17-13(3)18-7-8-19-17/h7-8,12,14-15,20H,5-6,9-11H2,1-4H3.
What are the key properties of N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide?
N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 167145758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).