N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide

C10H17NO4S2 — CID 75400460

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C10H17NO4S2/c1-10(12,9-4-3-6-16-9)8-11-17(13,14)7-5-15-2/h3-4,6,11-12H,5,7-8H2,1-2H3
InChIKeyPPIUCYVLIHKYKY-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.52
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide (PubChem CID 75400460) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide
PubChem CID75400460
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C10H17NO4S2/c1-10(12,9-4-3-6-16-9)8-11-17(13,14)7-5-15-2/h3-4,6,11-12H,5,7-8H2,1-2H3
InChIKeyPPIUCYVLIHKYKY-UHFFFAOYSA-N
XLogP0.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide (CID 75400460) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide?
The InChIKey is PPIUCYVLIHKYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S2/c1-10(12,9-4-3-6-16-9)8-11-17(13,14)7-5-15-2/h3-4,6,11-12H,5,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide has a molecular weight of 279.38 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 75400460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).