N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide

C7H17NO4S — CID 59257537

IUPACN-[4-(2-hydroxyethoxy)butyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCCOCCO
InChIInChI=1S/C7H17NO4S/c1-13(10,11)8-4-2-3-6-12-7-5-9/h8-9H,2-7H2,1H3
InChIKeyOGYFWGCAQVEETD-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.68
Rot. Bonds8

About N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide

N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide (PubChem CID 59257537) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)butyl]methanesulfonamide
PubChem CID59257537
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN-[4-(2-hydroxyethoxy)butyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCCOCCO
InChIInChI=1S/C7H17NO4S/c1-13(10,11)8-4-2-3-6-12-7-5-9/h8-9H,2-7H2,1H3
InChIKeyOGYFWGCAQVEETD-UHFFFAOYSA-N
XLogP-0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.68
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide (CID 59257537) is N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide is CS(=O)(=O)NCCCCOCCO.
What is the InChIKey of N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide?
The InChIKey is OGYFWGCAQVEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-13(10,11)8-4-2-3-6-12-7-5-9/h8-9H,2-7H2,1H3.
What are the key properties of N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide?
N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide is sourced from PubChem (CID 59257537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).