2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine

C14H24N4O2S — CID 63341357

IUPAC2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(S(=O)(=O)CCc2ccncc2)CC1
InChIInChI=1S/C14H24N4O2S/c1-13(12-15)17-7-9-18(10-8-17)21(19,20)11-4-14-2-5-16-6-3-14/h2-3,5-6,13H,4,7-12,15H2,1H3
InChIKeyITVMKNGRAFFINS-UHFFFAOYSA-N
MW312.44 g/mol
LogP-0.08
Rot. Bonds6

About 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine

2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine (PubChem CID 63341357) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
PubChem CID63341357
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(S(=O)(=O)CCc2ccncc2)CC1
InChIInChI=1S/C14H24N4O2S/c1-13(12-15)17-7-9-18(10-8-17)21(19,20)11-4-14-2-5-16-6-3-14/h2-3,5-6,13H,4,7-12,15H2,1H3
InChIKeyITVMKNGRAFFINS-UHFFFAOYSA-N
XLogP-0.08
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine (CID 63341357) is 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(S(=O)(=O)CCc2ccncc2)CC1.
What is the InChIKey of 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine?
The InChIKey is ITVMKNGRAFFINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-13(12-15)17-7-9-18(10-8-17)21(19,20)11-4-14-2-5-16-6-3-14/h2-3,5-6,13H,4,7-12,15H2,1H3.
What are the key properties of 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine?
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine has a molecular weight of 312.44 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63341357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).