N-(5-hydroxypentyl)-2-methoxyethanesulfonamide

C8H19NO4S — CID 107319418

IUPACN-(5-hydroxypentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCCCO
InChIInChI=1S/C8H19NO4S/c1-13-7-8-14(11,12)9-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyKCYWYROUXLNLTM-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.29
Rot. Bonds9

About N-(5-hydroxypentyl)-2-methoxyethanesulfonamide

N-(5-hydroxypentyl)-2-methoxyethanesulfonamide (PubChem CID 107319418) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methoxyethanesulfonamide
PubChem CID107319418
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-(5-hydroxypentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCCCO
InChIInChI=1S/C8H19NO4S/c1-13-7-8-14(11,12)9-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyKCYWYROUXLNLTM-UHFFFAOYSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
2-(4-aminophenoxy)-N-(5-hydroxypentyl)ethanesulfonamide
CID 107316382
1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
CID 106002081
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methoxyethanesulfonamide (CID 107319418) is N-(5-hydroxypentyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-methoxyethanesulfonamide?
The InChIKey is KCYWYROUXLNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-13-7-8-14(11,12)9-5-3-2-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-2-methoxyethanesulfonamide?
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 107319418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).