2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol

C13H18N2O3S — CID 81241270

IUPAC2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H18N2O3S/c16-12-3-1-2-4-13(12)19(17,18)15-9-7-14(8-10-15)11-5-6-11/h1-4,11,16H,5-10H2
InChIKeyIMCVJQLRESCHFE-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.86
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol

2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol (PubChem CID 81241270) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
PubChem CID81241270
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H18N2O3S/c16-12-3-1-2-4-13(12)19(17,18)15-9-7-14(8-10-15)11-5-6-11/h1-4,11,16H,5-10H2
InChIKeyIMCVJQLRESCHFE-UHFFFAOYSA-N
XLogP0.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine
CID 61442784
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
2-morpholin-4-ylsulfonylphenol
CID 79020270
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
ethyl 4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate
CID 113074705
methyl 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]cyclohexane-1-carboxylate
CID 69299969
1-cyclopentyl-4-(4-methylnaphthalen-1-yl)sulfonylpiperazine
CID 11949879
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol (CID 81241270) is 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol is O=S(=O)(c1ccccc1O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol?
The InChIKey is IMCVJQLRESCHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-12-3-1-2-4-13(12)19(17,18)15-9-7-14(8-10-15)11-5-6-11/h1-4,11,16H,5-10H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol?
2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol has a molecular weight of 282.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol is sourced from PubChem (CID 81241270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).