1-(3-chloropropylsulfonyl)piperidin-3-ol

C8H16ClNO3S — CID 43653903

IUPAC1-(3-chloropropylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CCCCl)N1CCCC(O)C1
InChIInChI=1S/C8H16ClNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(11)7-10/h8,11H,1-7H2
InChIKeyFPPIJXKUXNWUKY-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.40
Rot. Bonds4

About 1-(3-chloropropylsulfonyl)piperidin-3-ol

1-(3-chloropropylsulfonyl)piperidin-3-ol (PubChem CID 43653903) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)piperidin-3-ol
PubChem CID43653903
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-(3-chloropropylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CCCCl)N1CCCC(O)C1
InChIInChI=1S/C8H16ClNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(11)7-10/h8,11H,1-7H2
InChIKeyFPPIJXKUXNWUKY-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)piperidin-3-ol?
The IUPAC name of 1-(3-chloropropylsulfonyl)piperidin-3-ol (CID 43653903) is 1-(3-chloropropylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)piperidin-3-ol?
The canonical SMILES for 1-(3-chloropropylsulfonyl)piperidin-3-ol is O=S(=O)(CCCCl)N1CCCC(O)C1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)piperidin-3-ol?
The InChIKey is FPPIJXKUXNWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(11)7-10/h8,11H,1-7H2.
What are the key properties of 1-(3-chloropropylsulfonyl)piperidin-3-ol?
1-(3-chloropropylsulfonyl)piperidin-3-ol has a molecular weight of 241.74 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 43653903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).