2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C10H20N2O3S — CID 78928308

IUPAC2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)11-8-9(13)12-4-6-16(14,15)7-5-12/h11H,4-8H2,1-3H3
InChIKeyKIECHZOKEHLBMQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.37
Rot. Bonds2

About 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 78928308) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID78928308
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)11-8-9(13)12-4-6-16(14,15)7-5-12/h11H,4-8H2,1-3H3
InChIKeyKIECHZOKEHLBMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(ethylamino)ethanone
CID 103810948
3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropanoic acid
CID 62230712
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylbutan-1-one
CID 103810943
2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 115888267
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 78928308) is 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC(C)(C)NCC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is KIECHZOKEHLBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,3)11-8-9(13)12-4-6-16(14,15)7-5-12/h11H,4-8H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 248.35 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 78928308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).