N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide

C4H8INO2S — CID 89002805

IUPACN-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1C[C@H]1I
InChIInChI=1S/C4H8INO2S/c1-9(7,8)6-4-2-3(4)5/h3-4,6H,2H2,1H3/t3-,4-/m1/s1
InChIKeyNUBTUXMIWIAUOU-QWWZWVQMSA-N
MW261.08 g/mol
LogP0.11
Rot. Bonds2

About N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide

N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide (PubChem CID 89002805) has the molecular formula C4H8INO2S and a molecular weight of 261.08 g/mol. Its IUPAC name is N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide
PubChem CID89002805
Molecular FormulaC4H8INO2S
Molecular Weight261.08 g/mol
Exact Mass260.93
IUPAC NameN-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1C[C@H]1I
InChIInChI=1S/C4H8INO2S/c1-9(7,8)6-4-2-3(4)5/h3-4,6H,2H2,1H3/t3-,4-/m1/s1
InChIKeyNUBTUXMIWIAUOU-QWWZWVQMSA-N
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide (CID 89002805) is N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1C[C@H]1I.
What is the InChIKey of N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide?
The InChIKey is NUBTUXMIWIAUOU-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8INO2S/c1-9(7,8)6-4-2-3(4)5/h3-4,6H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide?
N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide has a molecular weight of 261.08 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide is sourced from PubChem (CID 89002805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).