4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide

C10H18ClNO4S2 — CID 55187457

IUPAC4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCC(Cl)C2)CC1
InChIInChI=1S/C10H18ClNO4S2/c11-9-2-1-5-12(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10H,1-8H2
InChIKeyWOJHBBKKLXFGGF-UHFFFAOYSA-N
MW315.84 g/mol
LogP0.60
Rot. Bonds2

About 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide

4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide (PubChem CID 55187457) has the molecular formula C10H18ClNO4S2 and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide
PubChem CID55187457
Molecular FormulaC10H18ClNO4S2
Molecular Weight315.84 g/mol
Exact Mass315.04
IUPAC Name4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCC(Cl)C2)CC1
InChIInChI=1S/C10H18ClNO4S2/c11-9-2-1-5-12(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10H,1-8H2
InChIKeyWOJHBBKKLXFGGF-UHFFFAOYSA-N
XLogP0.60
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide?
The IUPAC name of 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide (CID 55187457) is 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide.
What is the SMILES notation for 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide?
The canonical SMILES for 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide is O=S1(=O)CCC(S(=O)(=O)N2CCCC(Cl)C2)CC1.
What is the InChIKey of 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide?
The InChIKey is WOJHBBKKLXFGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4S2/c11-9-2-1-5-12(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10H,1-8H2.
What are the key properties of 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide?
4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide has a molecular weight of 315.84 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropiperidin-1-yl)sulfonylthiane 1,1-dioxide is sourced from PubChem (CID 55187457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).