N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

C13H22N2O3S2 — CID 16887598

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H22N2O3S2/c1-18-9-8-15-6-4-12(5-7-15)11-14-20(16,17)13-3-2-10-19-13/h2-3,10,12,14H,4-9,11H2,1H3
InChIKeyOQZJUIDIJKVGCW-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.38
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 16887598) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID16887598
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H22N2O3S2/c1-18-9-8-15-6-4-12(5-7-15)11-14-20(16,17)13-3-2-10-19-13/h2-3,10,12,14H,4-9,11H2,1H3
InChIKeyOQZJUIDIJKVGCW-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 16887598) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is COCCN1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is OQZJUIDIJKVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-18-9-8-15-6-4-12(5-7-15)11-14-20(16,17)13-3-2-10-19-13/h2-3,10,12,14H,4-9,11H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16887598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).