N-(oxan-2-yloxy)pentane-1-sulfonamide

C10H21NO4S — CID 67213530

IUPACN-(oxan-2-yloxy)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NOC1CCCCO1
InChIInChI=1S/C10H21NO4S/c1-2-3-6-9-16(12,13)11-15-10-7-4-5-8-14-10/h10-11H,2-9H2,1H3
InChIKeyMBCQAFJBUISMSS-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.55
Rot. Bonds7

About N-(oxan-2-yloxy)pentane-1-sulfonamide

N-(oxan-2-yloxy)pentane-1-sulfonamide (PubChem CID 67213530) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(oxan-2-yloxy)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)pentane-1-sulfonamide
PubChem CID67213530
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(oxan-2-yloxy)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NOC1CCCCO1
InChIInChI=1S/C10H21NO4S/c1-2-3-6-9-16(12,13)11-15-10-7-4-5-8-14-10/h10-11H,2-9H2,1H3
InChIKeyMBCQAFJBUISMSS-UHFFFAOYSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)pentane-1-sulfonamide?
The IUPAC name of N-(oxan-2-yloxy)pentane-1-sulfonamide (CID 67213530) is N-(oxan-2-yloxy)pentane-1-sulfonamide.
What is the SMILES notation for N-(oxan-2-yloxy)pentane-1-sulfonamide?
The canonical SMILES for N-(oxan-2-yloxy)pentane-1-sulfonamide is CCCCCS(=O)(=O)NOC1CCCCO1.
What is the InChIKey of N-(oxan-2-yloxy)pentane-1-sulfonamide?
The InChIKey is MBCQAFJBUISMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-2-3-6-9-16(12,13)11-15-10-7-4-5-8-14-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(oxan-2-yloxy)pentane-1-sulfonamide?
N-(oxan-2-yloxy)pentane-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)pentane-1-sulfonamide is sourced from PubChem (CID 67213530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).