4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide

C8H16INOS — CID 130679394

IUPAC4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1CN(CCI)CC(C)S1=O
InChIInChI=1S/C8H16INOS/c1-7-5-10(4-3-9)6-8(2)12(7)11/h7-8H,3-6H2,1-2H3
InChIKeyWKKPTHNGESSTHH-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.26
Rot. Bonds2

About 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide

4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 130679394) has the molecular formula C8H16INOS and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide
PubChem CID130679394
Molecular FormulaC8H16INOS
Molecular Weight301.19 g/mol
Exact Mass301.00
IUPAC Name4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1CN(CCI)CC(C)S1=O
InChIInChI=1S/C8H16INOS/c1-7-5-10(4-3-9)6-8(2)12(7)11/h7-8H,3-6H2,1-2H3
InChIKeyWKKPTHNGESSTHH-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.26
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'}

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Related Compounds

2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
CID 130621097
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609
3-ethoxy-1-(2-iodoethyl)azetidine
CID 166768424
2,4-dimethylthietane 1-oxide
CID 130381681
(4S)-2,4-dimethylthietane 1-oxide
CID 130381787
1-(2-iodoethyl)-4-methylpiperazine
CID 67574455
N-[1-(2-iodoethyl)piperidin-4-yl]acetamide
CID 126991191
4-butyl-2-methyl-1,4-thiazinane 1-oxide
CID 130678514
4-(2-iodoethyl)piperazine-1-sulfonamide
CID 130891491
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
7-bromo-3-(2-iodoethyl)-6-methyl-3-azabicyclo[4.1.0]heptane
CID 131134400

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide (CID 130679394) is 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide is CC1CN(CCI)CC(C)S1=O.
What is the InChIKey of 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is WKKPTHNGESSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INOS/c1-7-5-10(4-3-9)6-8(2)12(7)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide?
4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 301.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130679394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).