2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid

C12H20N2O5S — CID 80522088

IUPAC2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CS(=O)(=O)CCN2)CCC1
InChIInChI=1S/C12H20N2O5S/c15-10(6-9-8-20(18,19)5-4-13-9)14-12(2-1-3-12)7-11(16)17/h9,13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyHGSPHZKPJRRXAW-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.72
Rot. Bonds5

About 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 80522088) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID80522088
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CS(=O)(=O)CCN2)CCC1
InChIInChI=1S/C12H20N2O5S/c15-10(6-9-8-20(18,19)5-4-13-9)14-12(2-1-3-12)7-11(16)17/h9,13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyHGSPHZKPJRRXAW-UHFFFAOYSA-N
XLogP-0.72
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
3-[[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]methyl]pentanoic acid
CID 81072350

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid (CID 80522088) is 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CC2CS(=O)(=O)CCN2)CCC1.
What is the InChIKey of 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is HGSPHZKPJRRXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c15-10(6-9-8-20(18,19)5-4-13-9)14-12(2-1-3-12)7-11(16)17/h9,13H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 304.37 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 80522088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).