2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid

C11H19N3O3S — CID 103064175

IUPAC2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)NC2CCSC2)CC1
InChIInChI=1S/C11H19N3O3S/c15-10(16)7-13-2-4-14(5-3-13)11(17)12-9-1-6-18-8-9/h9H,1-8H2,(H,12,17)(H,15,16)
InChIKeyADXZTOUDFKDJHC-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.10
Rot. Bonds3

About 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid

2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid (PubChem CID 103064175) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
PubChem CID103064175
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)NC2CCSC2)CC1
InChIInChI=1S/C11H19N3O3S/c15-10(16)7-13-2-4-14(5-3-13)11(17)12-9-1-6-18-8-9/h9H,1-8H2,(H,12,17)(H,15,16)
InChIKeyADXZTOUDFKDJHC-UHFFFAOYSA-N
XLogP-0.10
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid (CID 103064175) is 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)NC2CCSC2)CC1.
What is the InChIKey of 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid?
The InChIKey is ADXZTOUDFKDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-10(16)7-13-2-4-14(5-3-13)11(17)12-9-1-6-18-8-9/h9H,1-8H2,(H,12,17)(H,15,16).
What are the key properties of 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid?
2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid has a molecular weight of 273.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 103064175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).