2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid

C10H14N4O6S — CID 43521635

IUPAC2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O6S/c15-8(16)6-13-1-3-14(4-2-13)21(19,20)7-5-11-10(18)12-9(7)17/h5H,1-4,6H2,(H,15,16)(H2,11,12,17,18)
InChIKeyAKFVGKDRPTUHEZ-UHFFFAOYSA-N
MW318.31 g/mol
LogP-2.55
Rot. Bonds4

About 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid

2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid (PubChem CID 43521635) has the molecular formula C10H14N4O6S and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid
PubChem CID43521635
Molecular FormulaC10H14N4O6S
Molecular Weight318.31 g/mol
Exact Mass318.06
IUPAC Name2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O6S/c15-8(16)6-13-1-3-14(4-2-13)21(19,20)7-5-11-10(18)12-9(7)17/h5H,1-4,6H2,(H,15,16)(H2,11,12,17,18)
InChIKeyAKFVGKDRPTUHEZ-UHFFFAOYSA-N
XLogP-2.55
TPSA143.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-2.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid (CID 43521635) is 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
The InChIKey is AKFVGKDRPTUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6S/c15-8(16)6-13-1-3-14(4-2-13)21(19,20)7-5-11-10(18)12-9(7)17/h5H,1-4,6H2,(H,15,16)(H2,11,12,17,18).
What are the key properties of 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid has a molecular weight of 318.31 g/mol, XLogP of -2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).