2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine

C11H21N5O2S — CID 104709342

IUPAC2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H21N5O2S/c1-10(9-12)15-5-7-16(8-6-15)19(17,18)11-3-4-13-14(11)2/h3-4,10H,5-9,12H2,1-2H3
InChIKeyYQXUODXRXCNBAW-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.93
Rot. Bonds4

About 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine

2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine (PubChem CID 104709342) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine
PubChem CID104709342
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H21N5O2S/c1-10(9-12)15-5-7-16(8-6-15)19(17,18)11-3-4-13-14(11)2/h3-4,10H,5-9,12H2,1-2H3
InChIKeyYQXUODXRXCNBAW-UHFFFAOYSA-N
XLogP-0.93
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine (CID 104709342) is 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine is CC(CN)N1CCN(S(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine?
The InChIKey is YQXUODXRXCNBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-10(9-12)15-5-7-16(8-6-15)19(17,18)11-3-4-13-14(11)2/h3-4,10H,5-9,12H2,1-2H3.
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine?
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine has a molecular weight of 287.39 g/mol, XLogP of -0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine is sourced from PubChem (CID 104709342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).