4-propylpiperidine-1-sulfonyl chloride

C8H16ClNO2S — CID 21255365

IUPAC4-propylpiperidine-1-sulfonyl chloride
SMILESCCCC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-2-3-8-4-6-10(7-5-8)13(9,11)12/h8H,2-7H2,1H3
InChIKeyUVAPBBUREPEGDA-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.98
Rot. Bonds3

About 4-propylpiperidine-1-sulfonyl chloride

4-propylpiperidine-1-sulfonyl chloride (PubChem CID 21255365) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 4-propylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-propylpiperidine-1-sulfonyl chloride
PubChem CID21255365
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name4-propylpiperidine-1-sulfonyl chloride
SMILESCCCC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-2-3-8-4-6-10(7-5-8)13(9,11)12/h8H,2-7H2,1H3
InChIKeyUVAPBBUREPEGDA-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propylpiperidine-1-sulfonyl chloride?
The IUPAC name of 4-propylpiperidine-1-sulfonyl chloride (CID 21255365) is 4-propylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-propylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 4-propylpiperidine-1-sulfonyl chloride is CCCC1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-propylpiperidine-1-sulfonyl chloride?
The InChIKey is UVAPBBUREPEGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-2-3-8-4-6-10(7-5-8)13(9,11)12/h8H,2-7H2,1H3.
What are the key properties of 4-propylpiperidine-1-sulfonyl chloride?
4-propylpiperidine-1-sulfonyl chloride has a molecular weight of 225.74 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 21255365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).