N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride

C9H20ClNO5S — CID 91572866

IUPACN-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride
SMILESCC(=O)NCCCCOCCO.CS(=O)(=O)Cl
InChIInChI=1S/C8H17NO3.CH3ClO2S/c1-8(11)9-4-2-3-6-12-7-5-10;1-5(2,3)4/h10H,2-7H2,1H3,(H,9,11);1H3
InChIKeyKGWNSWLSAHBEPC-UHFFFAOYSA-N
MW289.78 g/mol
LogP0.10
Rot. Bonds7

About N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride

N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride (PubChem CID 91572866) has the molecular formula C9H20ClNO5S and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride
PubChem CID91572866
Molecular FormulaC9H20ClNO5S
Molecular Weight289.78 g/mol
Exact Mass289.08
IUPAC NameN-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride
SMILESCC(=O)NCCCCOCCO.CS(=O)(=O)Cl
InChIInChI=1S/C8H17NO3.CH3ClO2S/c1-8(11)9-4-2-3-6-12-7-5-10;1-5(2,3)4/h10H,2-7H2,1H3,(H,9,11);1H3
InChIKeyKGWNSWLSAHBEPC-UHFFFAOYSA-N
XLogP0.10
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-[3-[3-[3-(hydroxyamino)propoxy]propoxy]propyl]acetamide
CID 20655076
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462
2-hexoxyethanol;sulfuric acid
CID 87749798
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride?
The IUPAC name of N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride (CID 91572866) is N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride?
The canonical SMILES for N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride is CC(=O)NCCCCOCCO.CS(=O)(=O)Cl.
What is the InChIKey of N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride?
The InChIKey is KGWNSWLSAHBEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.CH3ClO2S/c1-8(11)9-4-2-3-6-12-7-5-10;1-5(2,3)4/h10H,2-7H2,1H3,(H,9,11);1H3.
What are the key properties of N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride?
N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride has a molecular weight of 289.78 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride is sourced from PubChem (CID 91572866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).