(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol

C11H14INO3S — CID 71654100

IUPAC(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(I)cc1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H14INO3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(14)8-13/h3-6,10,14H,1-2,7-8H2/t10-/m0/s1
InChIKeyZMUZRFARFGNUBV-JTQLQIEISA-N
MW367.21 g/mol
LogP1.44
Rot. Bonds2

About (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol

(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol (PubChem CID 71654100) has the molecular formula C11H14INO3S and a molecular weight of 367.21 g/mol. Its IUPAC name is (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
PubChem CID71654100
Molecular FormulaC11H14INO3S
Molecular Weight367.21 g/mol
Exact Mass366.97
IUPAC Name(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(I)cc1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H14INO3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(14)8-13/h3-6,10,14H,1-2,7-8H2/t10-/m0/s1
InChIKeyZMUZRFARFGNUBV-JTQLQIEISA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 67222791
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 58293231
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol (CID 71654100) is (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol is O=S(=O)(c1ccc(I)cc1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol?
The InChIKey is ZMUZRFARFGNUBV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14INO3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(14)8-13/h3-6,10,14H,1-2,7-8H2/t10-/m0/s1.
What are the key properties of (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol?
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol has a molecular weight of 367.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 71654100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).