1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine

C7H14INS — CID 137474362

IUPAC1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine
SMILESCC(C)SCC1CN(I)C1
InChIInChI=1S/C7H14INS/c1-6(2)10-5-7-3-9(8)4-7/h6-7H,3-5H2,1-2H3
InChIKeyYKFZJDYGTLOAMR-UHFFFAOYSA-N
MW271.17 g/mol
LogP2.41
Rot. Bonds3

About 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine

1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine (PubChem CID 137474362) has the molecular formula C7H14INS and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine
PubChem CID137474362
Molecular FormulaC7H14INS
Molecular Weight271.17 g/mol
Exact Mass270.99
IUPAC Name1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine
SMILESCC(C)SCC1CN(I)C1
InChIInChI=1S/C7H14INS/c1-6(2)10-5-7-3-9(8)4-7/h6-7H,3-5H2,1-2H3
InChIKeyYKFZJDYGTLOAMR-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine?
The IUPAC name of 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine (CID 137474362) is 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine?
The canonical SMILES for 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine is CC(C)SCC1CN(I)C1.
What is the InChIKey of 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine?
The InChIKey is YKFZJDYGTLOAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INS/c1-6(2)10-5-7-3-9(8)4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine?
1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine has a molecular weight of 271.17 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(propan-2-ylsulfanylmethyl)azetidine is sourced from PubChem (CID 137474362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).