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

C10H14N2O3S2 — CID 113279080

IUPAC2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCS(=O)(=O)CC1)c1cccs1
InChIInChI=1S/C10H14N2O3S2/c11-9(8-2-1-5-16-8)10(13)12-3-6-17(14,15)7-4-12/h1-2,5,9H,3-4,6-7,11H2
InChIKeyWQBJLKJVCAFWRZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.00
Rot. Bonds2

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

2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone (PubChem CID 113279080) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
PubChem CID113279080
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCS(=O)(=O)CC1)c1cccs1
InChIInChI=1S/C10H14N2O3S2/c11-9(8-2-1-5-16-8)10(13)12-3-6-17(14,15)7-4-12/h1-2,5,9H,3-4,6-7,11H2
InChIKeyWQBJLKJVCAFWRZ-UHFFFAOYSA-N
XLogP0.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115286554
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-phenylethanone;hydrochloride
CID 119322888
2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
CID 115287351
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone (CID 113279080) is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone is NC(C(=O)N1CCS(=O)(=O)CC1)c1cccs1.
What is the InChIKey of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
The InChIKey is WQBJLKJVCAFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c11-9(8-2-1-5-16-8)10(13)12-3-6-17(14,15)7-4-12/h1-2,5,9H,3-4,6-7,11H2.
What are the key properties of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone?
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone has a molecular weight of 274.37 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 113279080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).