2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid

C10H17NO4S — CID 63068454

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-2-1-3-9(8)11-4-6-16(14,15)7-5-11/h8-9H,1-7H2,(H,12,13)
InChIKeyFJWYGNWRYQIYIC-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.03
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid

2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 63068454) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid
PubChem CID63068454
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-2-1-3-9(8)11-4-6-16(14,15)7-5-11/h8-9H,1-7H2,(H,12,13)
InChIKeyFJWYGNWRYQIYIC-UHFFFAOYSA-N
XLogP-0.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid (CID 63068454) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is FJWYGNWRYQIYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-2-1-3-9(8)11-4-6-16(14,15)7-5-11/h8-9H,1-7H2,(H,12,13).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid?
2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63068454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).