1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C10H11Cl2NO3S2 — CID 43797009

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S2/c11-9-5-7(10(12)17-9)8(14)6-13-1-3-18(15,16)4-2-13/h5H,1-4,6H2
InChIKeyBATRPDONRQMNNT-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.97
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 43797009) has the molecular formula C10H11Cl2NO3S2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID43797009
Molecular FormulaC10H11Cl2NO3S2
Molecular Weight328.24 g/mol
Exact Mass326.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S2/c11-9-5-7(10(12)17-9)8(14)6-13-1-3-18(15,16)4-2-13/h5H,1-4,6H2
InChIKeyBATRPDONRQMNNT-UHFFFAOYSA-N
XLogP1.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260
2-(1,4-diazepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 60710450
1-(2,5-dichlorothiophen-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 55216582
1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797361
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63634616
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 81097946
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 102727232
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43228932
1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967877
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
1-(4-chlorophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 62619364

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 43797009) is 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is O=C(CN1CCS(=O)(=O)CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is BATRPDONRQMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S2/c11-9-5-7(10(12)17-9)8(14)6-13-1-3-18(15,16)4-2-13/h5H,1-4,6H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 328.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 43797009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).