(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C9H10BrNO3S2 — CID 43647141

IUPAC(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H10BrNO3S2/c10-8-5-7(6-15-8)9(12)11-1-3-16(13,14)4-2-11/h5-6H,1-4H2
InChIKeyYLDIRCQMCFCBKC-UHFFFAOYSA-N
MW324.22 g/mol
LogP1.38
Rot. Bonds1

About (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 43647141) has the molecular formula C9H10BrNO3S2 and a molecular weight of 324.22 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID43647141
Molecular FormulaC9H10BrNO3S2
Molecular Weight324.22 g/mol
Exact Mass322.93
IUPAC Name(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H10BrNO3S2/c10-8-5-7(6-15-8)9(12)11-1-3-16(13,14)4-2-11/h5-6H,1-4H2
InChIKeyYLDIRCQMCFCBKC-UHFFFAOYSA-N
XLogP1.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)thiophen-2-yl]ethanone
CID 72917736
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79696531
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 43647141) is (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1csc(Br)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is YLDIRCQMCFCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S2/c10-8-5-7(6-15-8)9(12)11-1-3-16(13,14)4-2-11/h5-6H,1-4H2.
What are the key properties of (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 324.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 43647141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).