2-(2-iodoethyl)thiazinane

C6H12INS — CID 91341301

IUPAC2-(2-iodoethyl)thiazinane
SMILESICCN1CCCCS1
InChIInChI=1S/C6H12INS/c7-3-5-8-4-1-2-6-9-8/h1-6H2
InChIKeyGFNSKWKIARADSO-UHFFFAOYSA-N
MW257.14 g/mol
LogP2.17
Rot. Bonds2

About 2-(2-iodoethyl)thiazinane

2-(2-iodoethyl)thiazinane (PubChem CID 91341301) has the molecular formula C6H12INS and a molecular weight of 257.14 g/mol. Its IUPAC name is 2-(2-iodoethyl)thiazinane.

Molecular Properties

Compound Name2-(2-iodoethyl)thiazinane
PubChem CID91341301
Molecular FormulaC6H12INS
Molecular Weight257.14 g/mol
Exact Mass256.97
IUPAC Name2-(2-iodoethyl)thiazinane
SMILESICCN1CCCCS1
InChIInChI=1S/C6H12INS/c7-3-5-8-4-1-2-6-9-8/h1-6H2
InChIKeyGFNSKWKIARADSO-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethyl)thiazinane?
The IUPAC name of 2-(2-iodoethyl)thiazinane (CID 91341301) is 2-(2-iodoethyl)thiazinane.
What is the SMILES notation for 2-(2-iodoethyl)thiazinane?
The canonical SMILES for 2-(2-iodoethyl)thiazinane is ICCN1CCCCS1.
What is the InChIKey of 2-(2-iodoethyl)thiazinane?
The InChIKey is GFNSKWKIARADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INS/c7-3-5-8-4-1-2-6-9-8/h1-6H2.
What are the key properties of 2-(2-iodoethyl)thiazinane?
2-(2-iodoethyl)thiazinane has a molecular weight of 257.14 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethyl)thiazinane is sourced from PubChem (CID 91341301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).