N-(4-iodobutyl)oxane-4-sulfonamide

C9H18INO3S — CID 106846685

IUPACN-(4-iodobutyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCCCCI)C1CCOCC1
InChIInChI=1S/C9H18INO3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-8H2
InChIKeyFCDVERARHQHKFB-UHFFFAOYSA-N
MW347.22 g/mol
LogP1.30
Rot. Bonds6

About N-(4-iodobutyl)oxane-4-sulfonamide

N-(4-iodobutyl)oxane-4-sulfonamide (PubChem CID 106846685) has the molecular formula C9H18INO3S and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(4-iodobutyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-iodobutyl)oxane-4-sulfonamide
PubChem CID106846685
Molecular FormulaC9H18INO3S
Molecular Weight347.22 g/mol
Exact Mass347.01
IUPAC NameN-(4-iodobutyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCCCCI)C1CCOCC1
InChIInChI=1S/C9H18INO3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-8H2
InChIKeyFCDVERARHQHKFB-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
4-(oxan-4-ylsulfonylamino)butanethioamide
CID 62666040
N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide
CID 113317319
N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634
N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-sulfonamide
CID 64531284
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
CID 104972699
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
CID 95617460
N-(4-aminobutyl)cyclopentanesulfonamide
CID 105360505
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
CID 51108792
N-[(4-chlorocyclohexyl)methyl]oxane-4-sulfonamide
CID 114148389

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)oxane-4-sulfonamide?
The IUPAC name of N-(4-iodobutyl)oxane-4-sulfonamide (CID 106846685) is N-(4-iodobutyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(4-iodobutyl)oxane-4-sulfonamide?
The canonical SMILES for N-(4-iodobutyl)oxane-4-sulfonamide is O=S(=O)(NCCCCI)C1CCOCC1.
What is the InChIKey of N-(4-iodobutyl)oxane-4-sulfonamide?
The InChIKey is FCDVERARHQHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-8H2.
What are the key properties of N-(4-iodobutyl)oxane-4-sulfonamide?
N-(4-iodobutyl)oxane-4-sulfonamide has a molecular weight of 347.22 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)oxane-4-sulfonamide is sourced from PubChem (CID 106846685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).