N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide

C6H14INO3S — CID 134256277

IUPACN-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)CI
InChIInChI=1S/C6H14INO3S/c1-6(2)8(3-4-9)12(10,11)5-7/h6,9H,3-5H2,1-2H3
InChIKeyKKCFBBNGLXISMM-UHFFFAOYSA-N
MW307.15 g/mol
LogP0.41
Rot. Bonds5

About N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide

N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide (PubChem CID 134256277) has the molecular formula C6H14INO3S and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide
PubChem CID134256277
Molecular FormulaC6H14INO3S
Molecular Weight307.15 g/mol
Exact Mass306.97
IUPAC NameN-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)CI
InChIInChI=1S/C6H14INO3S/c1-6(2)8(3-4-9)12(10,11)5-7/h6,9H,3-5H2,1-2H3
InChIKeyKKCFBBNGLXISMM-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide (CID 134256277) is N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide is CC(C)N(CCO)S(=O)(=O)CI.
What is the InChIKey of N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide?
The InChIKey is KKCFBBNGLXISMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14INO3S/c1-6(2)8(3-4-9)12(10,11)5-7/h6,9H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide?
N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide has a molecular weight of 307.15 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-iodo-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 134256277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).