2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine

C13H22N4O2S — CID 63340805

IUPAC2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-13(2,11-14)16-6-8-17(9-7-16)20(18,19)12-4-3-5-15-10-12/h3-5,10H,6-9,11,14H2,1-2H3
InChIKeyRFBITZRFWBOKHV-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.13
Rot. Bonds4

About 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine

2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 63340805) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID63340805
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-13(2,11-14)16-6-8-17(9-7-16)20(18,19)12-4-3-5-15-10-12/h3-5,10H,6-9,11,14H2,1-2H3
InChIKeyRFBITZRFWBOKHV-UHFFFAOYSA-N
XLogP0.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine (CID 63340805) is 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine is CC(C)(CN)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is RFBITZRFWBOKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2,11-14)16-6-8-17(9-7-16)20(18,19)12-4-3-5-15-10-12/h3-5,10H,6-9,11,14H2,1-2H3.
What are the key properties of 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine?
2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63340805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).