2-ethoxy-N-(4-iodobutyl)ethanesulfonamide

C8H18INO3S — CID 106846595

IUPAC2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCCCI
InChIInChI=1S/C8H18INO3S/c1-2-13-7-8-14(11,12)10-6-4-3-5-9/h10H,2-8H2,1H3
InChIKeyWVBTVFAXPODUQT-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.16
Rot. Bonds9

About 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide

2-ethoxy-N-(4-iodobutyl)ethanesulfonamide (PubChem CID 106846595) has the molecular formula C8H18INO3S and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
PubChem CID106846595
Molecular FormulaC8H18INO3S
Molecular Weight335.21 g/mol
Exact Mass335.01
IUPAC Name2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCCCI
InChIInChI=1S/C8H18INO3S/c1-2-13-7-8-14(11,12)10-6-4-3-5-9/h10H,2-8H2,1H3
InChIKeyWVBTVFAXPODUQT-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.16
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

2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-octadecylpropane-1-sulfonamide
CID 88827291
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide (CID 106846595) is 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide is CCOCCS(=O)(=O)NCCCCI.
What is the InChIKey of 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide?
The InChIKey is WVBTVFAXPODUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18INO3S/c1-2-13-7-8-14(11,12)10-6-4-3-5-9/h10H,2-8H2,1H3.
What are the key properties of 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide?
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide has a molecular weight of 335.21 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-iodobutyl)ethanesulfonamide is sourced from PubChem (CID 106846595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).