N-(3-iodopropyl)methanesulfonamide

C4H10INO2S — CID 114504724

IUPACN-(3-iodopropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCI
InChIInChI=1S/C4H10INO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3
InChIKeyIMJCOVJNHCVRKB-UHFFFAOYSA-N
MW263.10 g/mol
LogP0.36
Rot. Bonds4

About N-(3-iodopropyl)methanesulfonamide

N-(3-iodopropyl)methanesulfonamide (PubChem CID 114504724) has the molecular formula C4H10INO2S and a molecular weight of 263.10 g/mol. Its IUPAC name is N-(3-iodopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-iodopropyl)methanesulfonamide
PubChem CID114504724
Molecular FormulaC4H10INO2S
Molecular Weight263.10 g/mol
Exact Mass262.95
IUPAC NameN-(3-iodopropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCI
InChIInChI=1S/C4H10INO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3
InChIKeyIMJCOVJNHCVRKB-UHFFFAOYSA-N
XLogP0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 50.36
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)methanesulfonamide?
The IUPAC name of N-(3-iodopropyl)methanesulfonamide (CID 114504724) is N-(3-iodopropyl)methanesulfonamide.
What is the SMILES notation for N-(3-iodopropyl)methanesulfonamide?
The canonical SMILES for N-(3-iodopropyl)methanesulfonamide is CS(=O)(=O)NCCCI.
What is the InChIKey of N-(3-iodopropyl)methanesulfonamide?
The InChIKey is IMJCOVJNHCVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3.
What are the key properties of N-(3-iodopropyl)methanesulfonamide?
N-(3-iodopropyl)methanesulfonamide has a molecular weight of 263.10 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)methanesulfonamide is sourced from PubChem (CID 114504724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).