2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C11H16N2O3S2 — CID 80519770

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCc1cccs1
InChIInChI=1S/C11H16N2O3S2/c14-11(13-7-10-2-1-4-17-10)6-9-8-18(15,16)5-3-12-9/h1-2,4,9,12H,3,5-8H2,(H,13,14)
InChIKeyKFHDPIFYGMZNMV-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.14
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 80519770) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID80519770
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCc1cccs1
InChIInChI=1S/C11H16N2O3S2/c14-11(13-7-10-2-1-4-17-10)6-9-8-18(15,16)5-3-12-9/h1-2,4,9,12H,3,5-8H2,(H,13,14)
InChIKeyKFHDPIFYGMZNMV-UHFFFAOYSA-N
XLogP0.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 80519850
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81409085
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81409100
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520515
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720
2-[1,1-dioxo-4-(thiophen-2-ylmethylcarbamoyl)-1,4-thiazinan-3-yl]acetic acid
CID 80515120
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 80518129
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 80519770) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCc1cccs1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KFHDPIFYGMZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c14-11(13-7-10-2-1-4-17-10)6-9-8-18(15,16)5-3-12-9/h1-2,4,9,12H,3,5-8H2,(H,13,14).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 80519770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).