1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide

C7H15IN2OS — CID 129125187

IUPAC1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide
SMILES[H]N=S1(=O)CCN(C(C)(C)I)CC1
InChIInChI=1S/C7H15IN2OS/c1-7(2,8)10-3-5-12(9,11)6-4-10/h9H,3-6H2,1-2H3
InChIKeyWCFAACXTNKYGJL-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.52
Rot. Bonds1

About 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide

1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide (PubChem CID 129125187) has the molecular formula C7H15IN2OS and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide
PubChem CID129125187
Molecular FormulaC7H15IN2OS
Molecular Weight302.18 g/mol
Exact Mass301.99
IUPAC Name1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide
SMILES[H]N=S1(=O)CCN(C(C)(C)I)CC1
InChIInChI=1S/C7H15IN2OS/c1-7(2,8)10-3-5-12(9,11)6-4-10/h9H,3-6H2,1-2H3
InChIKeyWCFAACXTNKYGJL-UHFFFAOYSA-N
XLogP1.52
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.52
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide (CID 129125187) is 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide is [H]N=S1(=O)CCN(C(C)(C)I)CC1.
What is the InChIKey of 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide?
The InChIKey is WCFAACXTNKYGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2OS/c1-7(2,8)10-3-5-12(9,11)6-4-10/h9H,3-6H2,1-2H3.
What are the key properties of 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide?
1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide has a molecular weight of 302.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4-(2-iodopropan-2-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 129125187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).