[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol

C12H18N2O3S — CID 43590128

IUPAC[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
SMILESNc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C12H18N2O3S/c13-11-3-5-12(6-4-11)18(16,17)14-7-1-2-10(8-14)9-15/h3-6,10,15H,1-2,7-9,13H2
InChIKeyBVMJMGRLKRUIOX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.66
Rot. Bonds3

About [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol

[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43590128) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43590128
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
SMILESNc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C12H18N2O3S/c13-11-3-5-12(6-4-11)18(16,17)14-7-1-2-10(8-14)9-15/h3-6,10,15H,1-2,7-9,13H2
InChIKeyBVMJMGRLKRUIOX-UHFFFAOYSA-N
XLogP0.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
CID 65207002
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
(3S)-1-(4-aminophenyl)sulfonylpiperidine-3-carboxylate
CID 6951914
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methylbenzenecarbothioamide
CID 106920062
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol (CID 43590128) is [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol is Nc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is BVMJMGRLKRUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-11-3-5-12(6-4-11)18(16,17)14-7-1-2-10(8-14)9-15/h3-6,10,15H,1-2,7-9,13H2.
What are the key properties of [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol?
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 270.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43590128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).