N-(2-hydroxyethyl)-6-methylsulfonylhexanamide

C9H19NO4S — CID 164784886

IUPACN-(2-hydroxyethyl)-6-methylsulfonylhexanamide
SMILESCS(=O)(=O)CCCCCC(=O)NCCO
InChIInChI=1S/C9H19NO4S/c1-15(13,14)8-4-2-3-5-9(12)10-6-7-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyRHRJDATWAAMQKN-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.30
Rot. Bonds8

About N-(2-hydroxyethyl)-6-methylsulfonylhexanamide

N-(2-hydroxyethyl)-6-methylsulfonylhexanamide (PubChem CID 164784886) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methylsulfonylhexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methylsulfonylhexanamide
PubChem CID164784886
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(2-hydroxyethyl)-6-methylsulfonylhexanamide
SMILESCS(=O)(=O)CCCCCC(=O)NCCO
InChIInChI=1S/C9H19NO4S/c1-15(13,14)8-4-2-3-5-9(12)10-6-7-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyRHRJDATWAAMQKN-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methylsulfonylhexanamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methylsulfonylhexanamide (CID 164784886) is N-(2-hydroxyethyl)-6-methylsulfonylhexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methylsulfonylhexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methylsulfonylhexanamide is CS(=O)(=O)CCCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-6-methylsulfonylhexanamide?
The InChIKey is RHRJDATWAAMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-15(13,14)8-4-2-3-5-9(12)10-6-7-11/h11H,2-8H2,1H3,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-6-methylsulfonylhexanamide?
N-(2-hydroxyethyl)-6-methylsulfonylhexanamide 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-(2-hydroxyethyl)-6-methylsulfonylhexanamide is sourced from PubChem (CID 164784886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).