1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine

C14H20ClNO2S — CID 2992383

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-2-13-8-5-6-10-16(13)19(17,18)11-12-7-3-4-9-14(12)15/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3
InChIKeyUUGBNKQYBXZRCM-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.43
Rot. Bonds4

About 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine

1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine (PubChem CID 2992383) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine
PubChem CID2992383
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-2-13-8-5-6-10-16(13)19(17,18)11-12-7-3-4-9-14(12)15/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3
InChIKeyUUGBNKQYBXZRCM-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine (CID 2992383) is 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine?
The InChIKey is UUGBNKQYBXZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-13-8-5-6-10-16(13)19(17,18)11-12-7-3-4-9-14(12)15/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine?
1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine has a molecular weight of 301.84 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-2-ethylpiperidine is sourced from PubChem (CID 2992383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).