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

C13H26N2O3S — CID 80520807

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
SMILESCCC(CC)C(C)NC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H26N2O3S/c1-4-11(5-2)10(3)15-13(16)8-12-9-19(17,18)7-6-14-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMCVHTWSPTLFODW-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.70
Rot. Bonds6

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide (PubChem CID 80520807) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
PubChem CID80520807
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
SMILESCCC(CC)C(C)NC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H26N2O3S/c1-4-11(5-2)10(3)15-13(16)8-12-9-19(17,18)7-6-14-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMCVHTWSPTLFODW-UHFFFAOYSA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 80519954
(2S)-2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]pentanoic acid
CID 107565203
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
3-[[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]methyl]pentanoic acid
CID 81072350
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
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-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide (CID 80520807) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide is CCC(CC)C(C)NC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide?
The InChIKey is MCVHTWSPTLFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-11(5-2)10(3)15-13(16)8-12-9-19(17,18)7-6-14-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide has a molecular weight of 290.43 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide is sourced from PubChem (CID 80520807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).