1-(3-chloropropylsulfonyl)-3-ethylpiperidine

C10H20ClNO2S — CID 43653877

IUPAC1-(3-chloropropylsulfonyl)-3-ethylpiperidine
SMILESCCC1CCCN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C10H20ClNO2S/c1-2-10-5-3-7-12(9-10)15(13,14)8-4-6-11/h10H,2-9H2,1H3
InChIKeyKNFGAWQOLQTMFY-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.07
Rot. Bonds5

About 1-(3-chloropropylsulfonyl)-3-ethylpiperidine

1-(3-chloropropylsulfonyl)-3-ethylpiperidine (PubChem CID 43653877) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-3-ethylpiperidine.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-3-ethylpiperidine
PubChem CID43653877
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name1-(3-chloropropylsulfonyl)-3-ethylpiperidine
SMILESCCC1CCCN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C10H20ClNO2S/c1-2-10-5-3-7-12(9-10)15(13,14)8-4-6-11/h10H,2-9H2,1H3
InChIKeyKNFGAWQOLQTMFY-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-ethylpiperidine?
The IUPAC name of 1-(3-chloropropylsulfonyl)-3-ethylpiperidine (CID 43653877) is 1-(3-chloropropylsulfonyl)-3-ethylpiperidine.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-3-ethylpiperidine?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-3-ethylpiperidine is CCC1CCCN(S(=O)(=O)CCCCl)C1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-3-ethylpiperidine?
The InChIKey is KNFGAWQOLQTMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-2-10-5-3-7-12(9-10)15(13,14)8-4-6-11/h10H,2-9H2,1H3.
What are the key properties of 1-(3-chloropropylsulfonyl)-3-ethylpiperidine?
1-(3-chloropropylsulfonyl)-3-ethylpiperidine has a molecular weight of 253.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-3-ethylpiperidine is sourced from PubChem (CID 43653877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).