N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide

C14H21N5O3S — CID 25285286

IUPACN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CC1
InChIInChI=1S/C14H21N5O3S/c20-13(12-2-3-12)15-6-11-23(21,22)19-9-7-18(8-10-19)14-16-4-1-5-17-14/h1,4-5,12H,2-3,6-11H2,(H,15,20)
InChIKeyHPFJISOSUQVTSE-UHFFFAOYSA-N
MW339.42 g/mol
LogP-0.55
Rot. Bonds6

About N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide (PubChem CID 25285286) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide
PubChem CID25285286
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CC1
InChIInChI=1S/C14H21N5O3S/c20-13(12-2-3-12)15-6-11-23(21,22)19-9-7-18(8-10-19)14-16-4-1-5-17-14/h1,4-5,12H,2-3,6-11H2,(H,15,20)
InChIKeyHPFJISOSUQVTSE-UHFFFAOYSA-N
XLogP-0.55
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide (CID 25285286) is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CC1.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide?
The InChIKey is HPFJISOSUQVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c20-13(12-2-3-12)15-6-11-23(21,22)19-9-7-18(8-10-19)14-16-4-1-5-17-14/h1,4-5,12H,2-3,6-11H2,(H,15,20).
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide?
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide has a molecular weight of 339.42 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 25285286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).