1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H18N2O4S — CID 54975708

IUPAC1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)N1CCS(=O)CC1
InChIInChI=1S/C11H18N2O4S/c14-9(15)11(3-1-2-4-11)12-10(16)13-5-7-18(17)8-6-13/h1-8H2,(H,12,16)(H,14,15)
InChIKeyHWWUBIOPSGHNHN-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.16
Rot. Bonds2

About 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 54975708) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID54975708
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)N1CCS(=O)CC1
InChIInChI=1S/C11H18N2O4S/c14-9(15)11(3-1-2-4-11)12-10(16)13-5-7-18(17)8-6-13/h1-8H2,(H,12,16)(H,14,15)
InChIKeyHWWUBIOPSGHNHN-UHFFFAOYSA-N
XLogP0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 54975708) is 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)N1CCS(=O)CC1.
What is the InChIKey of 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HWWUBIOPSGHNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-9(15)11(3-1-2-4-11)12-10(16)13-5-7-18(17)8-6-13/h1-8H2,(H,12,16)(H,14,15).
What are the key properties of 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54975708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).