(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone

C11H12INO3S — CID 61400654

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12INO3S/c12-10-4-2-1-3-9(10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2
InChIKeyWIHJYBVQJCFJMT-UHFFFAOYSA-N
MW365.19 g/mol
LogP1.16
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone (PubChem CID 61400654) has the molecular formula C11H12INO3S and a molecular weight of 365.19 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
PubChem CID61400654
Molecular FormulaC11H12INO3S
Molecular Weight365.19 g/mol
Exact Mass364.96
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12INO3S/c12-10-4-2-1-3-9(10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2
InChIKeyWIHJYBVQJCFJMT-UHFFFAOYSA-N
XLogP1.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
CID 10881534
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
2-[4-(2-iodobenzoyl)piperazin-1-yl]acetic acid
CID 43521566
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(2-iodophenyl)-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]methanone
CID 17116509

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone (CID 61400654) is (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone?
The InChIKey is WIHJYBVQJCFJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3S/c12-10-4-2-1-3-9(10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone has a molecular weight of 365.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone is sourced from PubChem (CID 61400654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).