1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone

C10H13NO3S2 — CID 110721392

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H13NO3S2/c12-10(8-9-2-1-5-15-9)11-3-6-16(13,14)7-4-11/h1-2,5H,3-4,6-8H2
InChIKeyGFEMLDMVBGKXON-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.55
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone (PubChem CID 110721392) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
PubChem CID110721392
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H13NO3S2/c12-10(8-9-2-1-5-15-9)11-3-6-16(13,14)7-4-11/h1-2,5H,3-4,6-8H2
InChIKeyGFEMLDMVBGKXON-UHFFFAOYSA-N
XLogP0.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
CID 24703567
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802567
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113074569
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 5181209
1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 97038886

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone (CID 110721392) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
The InChIKey is GFEMLDMVBGKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c12-10(8-9-2-1-5-15-9)11-3-6-16(13,14)7-4-11/h1-2,5H,3-4,6-8H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone has a molecular weight of 259.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 110721392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).