5-(oxetan-3-yloxy)pentane-1-sulfonamide

C8H17NO4S — CID 102608527

IUPAC5-(oxetan-3-yloxy)pentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCOC1COC1
InChIInChI=1S/C8H17NO4S/c9-14(10,11)5-3-1-2-4-13-8-6-12-7-8/h8H,1-7H2,(H2,9,10,11)
InChIKeyKARSEVZVISLSOB-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.14
Rot. Bonds7

About 5-(oxetan-3-yloxy)pentane-1-sulfonamide

5-(oxetan-3-yloxy)pentane-1-sulfonamide (PubChem CID 102608527) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-(oxetan-3-yloxy)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(oxetan-3-yloxy)pentane-1-sulfonamide
PubChem CID102608527
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name5-(oxetan-3-yloxy)pentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCOC1COC1
InChIInChI=1S/C8H17NO4S/c9-14(10,11)5-3-1-2-4-13-8-6-12-7-8/h8H,1-7H2,(H2,9,10,11)
InChIKeyKARSEVZVISLSOB-UHFFFAOYSA-N
XLogP-0.14
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.14
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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Related Compounds

5-(oxetan-3-yloxy)pentane-1-thiol
CID 102608739
dodecane-1,12-disulfonamide
CID 57288842
5-(oxetan-3-yloxy)pentanehydrazide
CID 102608461
6-(cyclopentylmethoxy)hexane-1-sulfonamide
CID 66322939
2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
CID 102607610
9-propoxynonane-1-sulfonamide
CID 105343921
5-cyclopropylpentane-1-sulfonamide
CID 67223678
propane-1,3-disulfonamide
CID 22153832
4-(oxan-4-yl)butane-1-sulfonamide
CID 165485464
2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide
CID 102608521
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751
4-[2-(oxetan-3-yloxy)ethylsulfonyl]benzenecarbothioamide
CID 102606396

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yloxy)pentane-1-sulfonamide?
The IUPAC name of 5-(oxetan-3-yloxy)pentane-1-sulfonamide (CID 102608527) is 5-(oxetan-3-yloxy)pentane-1-sulfonamide.
What is the SMILES notation for 5-(oxetan-3-yloxy)pentane-1-sulfonamide?
The canonical SMILES for 5-(oxetan-3-yloxy)pentane-1-sulfonamide is NS(=O)(=O)CCCCCOC1COC1.
What is the InChIKey of 5-(oxetan-3-yloxy)pentane-1-sulfonamide?
The InChIKey is KARSEVZVISLSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c9-14(10,11)5-3-1-2-4-13-8-6-12-7-8/h8H,1-7H2,(H2,9,10,11).
What are the key properties of 5-(oxetan-3-yloxy)pentane-1-sulfonamide?
5-(oxetan-3-yloxy)pentane-1-sulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yloxy)pentane-1-sulfonamide is sourced from PubChem (CID 102608527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).