(1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone

C11H15NO3S2 — CID 97185484

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15NO3S2/c1-2-9-3-6-16-10(9)11(13)12-4-7-17(14,15)8-5-12/h3,6H,2,4-5,7-8H2,1H3
InChIKeyWFJCKCUJRZFCNP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.18
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone (PubChem CID 97185484) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone
PubChem CID97185484
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15NO3S2/c1-2-9-3-6-16-10(9)11(13)12-4-7-17(14,15)8-5-12/h3,6H,2,4-5,7-8H2,1H3
InChIKeyWFJCKCUJRZFCNP-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone (CID 97185484) is (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone?
The InChIKey is WFJCKCUJRZFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-2-9-3-6-16-10(9)11(13)12-4-7-17(14,15)8-5-12/h3,6H,2,4-5,7-8H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 97185484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).