N-(3-iodopropyl)propane-2-sulfonamide

C6H14INO2S — CID 114504681

IUPACN-(3-iodopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCI
InChIInChI=1S/C6H14INO2S/c1-6(2)11(9,10)8-5-3-4-7/h6,8H,3-5H2,1-2H3
InChIKeyVXOKAXOUIUHPOC-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.14
Rot. Bonds5

About N-(3-iodopropyl)propane-2-sulfonamide

N-(3-iodopropyl)propane-2-sulfonamide (PubChem CID 114504681) has the molecular formula C6H14INO2S and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(3-iodopropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-iodopropyl)propane-2-sulfonamide
PubChem CID114504681
Molecular FormulaC6H14INO2S
Molecular Weight291.15 g/mol
Exact Mass290.98
IUPAC NameN-(3-iodopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCI
InChIInChI=1S/C6H14INO2S/c1-6(2)11(9,10)8-5-3-4-7/h6,8H,3-5H2,1-2H3
InChIKeyVXOKAXOUIUHPOC-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)propane-2-sulfonamide?
The IUPAC name of N-(3-iodopropyl)propane-2-sulfonamide (CID 114504681) is N-(3-iodopropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-iodopropyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-iodopropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCI.
What is the InChIKey of N-(3-iodopropyl)propane-2-sulfonamide?
The InChIKey is VXOKAXOUIUHPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14INO2S/c1-6(2)11(9,10)8-5-3-4-7/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(3-iodopropyl)propane-2-sulfonamide?
N-(3-iodopropyl)propane-2-sulfonamide has a molecular weight of 291.15 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)propane-2-sulfonamide is sourced from PubChem (CID 114504681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).