1-(3-chloropropylsulfonyl)-2-ethylpiperidine

C10H20ClNO2S — CID 43654522

IUPAC1-(3-chloropropylsulfonyl)-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-2-10-6-3-4-8-12(10)15(13,14)9-5-7-11/h10H,2-9H2,1H3
InChIKeyYLZNWVABGNNBIT-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds5

About 1-(3-chloropropylsulfonyl)-2-ethylpiperidine

1-(3-chloropropylsulfonyl)-2-ethylpiperidine (PubChem CID 43654522) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-2-ethylpiperidine.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-2-ethylpiperidine
PubChem CID43654522
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name1-(3-chloropropylsulfonyl)-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-2-10-6-3-4-8-12(10)15(13,14)9-5-7-11/h10H,2-9H2,1H3
InChIKeyYLZNWVABGNNBIT-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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)-2-ethylpiperidine?
The IUPAC name of 1-(3-chloropropylsulfonyl)-2-ethylpiperidine (CID 43654522) is 1-(3-chloropropylsulfonyl)-2-ethylpiperidine.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-2-ethylpiperidine?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)CCCCl.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-2-ethylpiperidine?
The InChIKey is YLZNWVABGNNBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-2-10-6-3-4-8-12(10)15(13,14)9-5-7-11/h10H,2-9H2,1H3.
What are the key properties of 1-(3-chloropropylsulfonyl)-2-ethylpiperidine?
1-(3-chloropropylsulfonyl)-2-ethylpiperidine has a molecular weight of 253.79 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-2-ethylpiperidine is sourced from PubChem (CID 43654522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).