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

C12H21N3O4S — CID 80519686

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1CCCCNC1=O
InChIInChI=1S/C12H21N3O4S/c16-11(7-9-8-20(18,19)6-5-13-9)15-10-3-1-2-4-14-12(10)17/h9-10,13H,1-8H2,(H,14,17)(H,15,16)
InChIKeyIYIQXAOPFZBJHT-UHFFFAOYSA-N
MW303.38 g/mol
LogP-1.45
Rot. Bonds3

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 80519686) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID80519686
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1CCCCNC1=O
InChIInChI=1S/C12H21N3O4S/c16-11(7-9-8-20(18,19)6-5-13-9)15-10-3-1-2-4-14-12(10)17/h9-10,13H,1-8H2,(H,14,17)(H,15,16)
InChIKeyIYIQXAOPFZBJHT-UHFFFAOYSA-N
XLogP-1.45
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520467
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519579
N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518479
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide (CID 80519686) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NC1CCCCNC1=O.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is IYIQXAOPFZBJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c16-11(7-9-8-20(18,19)6-5-13-9)15-10-3-1-2-4-14-12(10)17/h9-10,13H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 303.38 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 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-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 80519686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).