N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide

C9H19NO4S — CID 88728492

IUPACN-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide
SMILESCCCCC(NC(C)=O)S(=O)(=O)CCO
InChIInChI=1S/C9H19NO4S/c1-3-4-5-9(10-8(2)12)15(13,14)7-6-11/h9,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyANUPIVUFWHHIHB-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.05
Rot. Bonds7

About N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide

N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide (PubChem CID 88728492) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide
PubChem CID88728492
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide
SMILESCCCCC(NC(C)=O)S(=O)(=O)CCO
InChIInChI=1S/C9H19NO4S/c1-3-4-5-9(10-8(2)12)15(13,14)7-6-11/h9,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyANUPIVUFWHHIHB-UHFFFAOYSA-N
XLogP0.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-hydroxybutan-2-ylsulfonyl)acetamide
CID 72119318
2-[1-(Pentylamino)pentylsulfonyl]ethanol
CID 88434543
2-[5-(Pentylamino)pentylsulfonyl]ethanol
CID 88434548
2-[1-(Pentylamino)ethylsulfonyl]ethanol
CID 88520444
2-[1-(Hexylamino)ethylsulfonyl]ethanol
CID 88520463
N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide
CID 88728496
N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
CID 139727224
N-[1-(2-aminoethylsulfonyl)-2-hydroxybutyl]acetamide;ethane
CID 141816318
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
CID 156532549
ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen
CID 156791270
N-(2-hydroxyethyl)-6-methylsulfonylhexanamide
CID 164784886
N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide
CID 173454971

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide?
The IUPAC name of N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide (CID 88728492) is N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide.
What is the SMILES notation for N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide?
The canonical SMILES for N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide is CCCCC(NC(C)=O)S(=O)(=O)CCO.
What is the InChIKey of N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide?
The InChIKey is ANUPIVUFWHHIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-3-4-5-9(10-8(2)12)15(13,14)7-6-11/h9,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide?
N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide has a molecular weight of 237.32 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethylsulfonyl)pentyl]acetamide is sourced from PubChem (CID 88728492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).