N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide

C9H19NO4S — CID 88728496

IUPACN-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide
SMILESCC(=O)NCCCCCS(=O)(=O)CCO
InChIInChI=1S/C9H19NO4S/c1-9(12)10-5-3-2-4-7-15(13,14)8-6-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyIPNQSLUSLPUTCI-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.30
Rot. Bonds8

About N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide

N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide (PubChem CID 88728496) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide
PubChem CID88728496
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide
SMILESCC(=O)NCCCCCS(=O)(=O)CCO
InChIInChI=1S/C9H19NO4S/c1-9(12)10-5-3-2-4-7-15(13,14)8-6-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyIPNQSLUSLPUTCI-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.30
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

2-decylsulfonyl-N-(2-hydroxyethyl)acetamide
CID 508459
N-cyclopentyl-2-(3-hydroxybutan-2-ylsulfonyl)acetamide
CID 72119318
N-[3-(2-hydroxyethylsulfanyl)propyl]pentanamide
CID 15123543
2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide
CID 20756417
2-[2-(Pentylamino)ethylsulfonyl]ethanol
CID 53842227
N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 61342786
N-(2-hydroxypropyl)-4-methylsulfonylbutanamide
CID 84321558
N-[2-(2-hydroxyethylsulfonyl)ethyl]acetamide
CID 85738676
2-[1-(Pentylamino)pentylsulfonyl]ethanol
CID 88434543
2-[5-(Pentylamino)pentylsulfonyl]ethanol
CID 88434548
N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide
CID 88728492
N-[6-(7-acetamido-1-hydroxyheptan-2-yl)sulfonyl-7-hydroxyheptyl]acetamide
CID 88782096

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide?
The IUPAC name of N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide (CID 88728496) is N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide.
What is the SMILES notation for N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide?
The canonical SMILES for N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide is CC(=O)NCCCCCS(=O)(=O)CCO.
What is the InChIKey of N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide?
The InChIKey is IPNQSLUSLPUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(12)10-5-3-2-4-7-15(13,14)8-6-11/h11H,2-8H2,1H3,(H,10,12).
What are the key properties of N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide?
N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide has a molecular weight of 237.32 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide is sourced from PubChem (CID 88728496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).