(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol

C12H18N2O3S — CID 154464873

IUPAC(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol
SMILESNCc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C12H18N2O3S/c13-8-10-3-5-12(6-4-10)18(16,17)14-7-1-2-11(15)9-14/h3-6,11,15H,1-2,7-9,13H2/t11-/m0/s1
InChIKeyRTYFJRNBENOOIZ-NSHDSACASA-N
MW270.35 g/mol
LogP0.29
Rot. Bonds3

About (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol

(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol (PubChem CID 154464873) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol
PubChem CID154464873
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol
SMILESNCc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C12H18N2O3S/c13-8-10-3-5-12(6-4-10)18(16,17)14-7-1-2-11(15)9-14/h3-6,11,15H,1-2,7-9,13H2/t11-/m0/s1
InChIKeyRTYFJRNBENOOIZ-NSHDSACASA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol (CID 154464873) is (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol is NCc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol?
The InChIKey is RTYFJRNBENOOIZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-8-10-3-5-12(6-4-10)18(16,17)14-7-1-2-11(15)9-14/h3-6,11,15H,1-2,7-9,13H2/t11-/m0/s1.
What are the key properties of (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol?
(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol has a molecular weight of 270.35 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol is sourced from PubChem (CID 154464873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).