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

C13H21N3O3S — CID 63239500

IUPAC2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
SMILESCC(C)(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H21N3O3S/c1-13(2,17)11-15-6-8-16(9-7-15)20(18,19)12-4-3-5-14-10-12/h3-5,10,17H,6-9,11H2,1-2H3
InChIKeyVTRPKRRCCZYZBZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.16
Rot. Bonds4

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

2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol (PubChem CID 63239500) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
PubChem CID63239500
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
SMILESCC(C)(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H21N3O3S/c1-13(2,17)11-15-6-8-16(9-7-15)20(18,19)12-4-3-5-14-10-12/h3-5,10,17H,6-9,11H2,1-2H3
InChIKeyVTRPKRRCCZYZBZ-UHFFFAOYSA-N
XLogP0.16
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
CID 63340805
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
CID 63631193
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
1-pyridin-3-ylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 37067319
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783559
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol (CID 63239500) is 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol is CC(C)(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
The InChIKey is VTRPKRRCCZYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(2,17)11-15-6-8-16(9-7-15)20(18,19)12-4-3-5-14-10-12/h3-5,10,17H,6-9,11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol has a molecular weight of 299.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 63239500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).