N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide

C9H21NO4S — CID 107203008

IUPACN-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C9H21NO4S/c1-10(6-4-3-5-7-11)15(12,13)9-8-14-2/h11H,3-9H2,1-2H3
InChIKeyMEGKZBKPMNZGSX-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.06
Rot. Bonds9

About N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide

N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide (PubChem CID 107203008) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide
PubChem CID107203008
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C9H21NO4S/c1-10(6-4-3-5-7-11)15(12,13)9-8-14-2/h11H,3-9H2,1-2H3
InChIKeyMEGKZBKPMNZGSX-UHFFFAOYSA-N
XLogP0.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
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-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide (CID 107203008) is N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?
The InChIKey is MEGKZBKPMNZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-10(6-4-3-5-7-11)15(12,13)9-8-14-2/h11H,3-9H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?
N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 107203008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).