2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride

C10H13ClINO2S — CID 66654177

IUPAC2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCNCC1c1ccc(I)cc1
InChIInChI=1S/C10H12INO2S.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-15(10,13)14;/h1-4,10,12H,5-7H2;1H
InChIKeyIPQNMFSKBHDAHB-UHFFFAOYSA-N
MW373.64 g/mol
LogP1.77
Rot. Bonds1

About 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride

2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride (PubChem CID 66654177) has the molecular formula C10H13ClINO2S and a molecular weight of 373.64 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride
PubChem CID66654177
Molecular FormulaC10H13ClINO2S
Molecular Weight373.64 g/mol
Exact Mass372.94
IUPAC Name2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCNCC1c1ccc(I)cc1
InChIInChI=1S/C10H12INO2S.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-15(10,13)14;/h1-4,10,12H,5-7H2;1H
InChIKeyIPQNMFSKBHDAHB-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline
CID 67006004
2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide
CID 82298543
methyl formate;2-phenyl-1,4-thiazinane 1,1-dioxide
CID 175299719
2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
CID 82298549
1,1-dioxo-1,4-thiazinan-2-ol
CID 173064377
(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide
CID 124680559
2-cyclopentyl-1,4-thiazinane 1,1-dioxide
CID 173061390
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
1-cyclobutyl-4-iodobenzene
CID 155973384
3-chloro-4-(4-iodophenyl)pyrrolidine-2,5-dione
CID 106695059
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride?
The IUPAC name of 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride (CID 66654177) is 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride?
The canonical SMILES for 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride is Cl.O=S1(=O)CCNCC1c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride?
The InChIKey is IPQNMFSKBHDAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-15(10,13)14;/h1-4,10,12H,5-7H2;1H.
What are the key properties of 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride?
2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride has a molecular weight of 373.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 66654177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).