2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid

C11H20N2O6S2 — CID 80516760

IUPAC2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid
SMILESO=C(O)CC1CS(=O)(=O)CCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)8-10-9-20(16,17)7-6-13(10)21(18,19)12-4-2-1-3-5-12/h10H,1-9H2,(H,14,15)
InChIKeyCQRHIWPGEMBBIS-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.71
Rot. Bonds4

About 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid

2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid (PubChem CID 80516760) has the molecular formula C11H20N2O6S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid
PubChem CID80516760
Molecular FormulaC11H20N2O6S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC Name2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid
SMILESO=C(O)CC1CS(=O)(=O)CCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)8-10-9-20(16,17)7-6-13(10)21(18,19)12-4-2-1-3-5-12/h10H,1-9H2,(H,14,15)
InChIKeyCQRHIWPGEMBBIS-UHFFFAOYSA-N
XLogP-0.71
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid?
The IUPAC name of 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid (CID 80516760) is 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid.
What is the SMILES notation for 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid?
The canonical SMILES for 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid is O=C(O)CC1CS(=O)(=O)CCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid?
The InChIKey is CQRHIWPGEMBBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S2/c14-11(15)8-10-9-20(16,17)7-6-13(10)21(18,19)12-4-2-1-3-5-12/h10H,1-9H2,(H,14,15).
What are the key properties of 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid?
2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid has a molecular weight of 340.42 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-4-piperidin-1-ylsulfonyl-1,4-thiazinan-3-yl)acetic acid is sourced from PubChem (CID 80516760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).