1-ethylsulfonyl-4-propan-2-ylpiperidine

C10H21NO2S — CID 20712251

IUPAC1-ethylsulfonyl-4-propan-2-ylpiperidine
SMILESCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C10H21NO2S/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyZGDLEZLQJONYKD-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds3

About 1-ethylsulfonyl-4-propan-2-ylpiperidine

1-ethylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 20712251) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-propan-2-ylpiperidine
PubChem CID20712251
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-ethylsulfonyl-4-propan-2-ylpiperidine
SMILESCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C10H21NO2S/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyZGDLEZLQJONYKD-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-ethylsulfonyl-4-propan-2-ylpiperidine (CID 20712251) is 1-ethylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-ethylsulfonyl-4-propan-2-ylpiperidine is CCS(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is ZGDLEZLQJONYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-propan-2-ylpiperidine?
1-ethylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 20712251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).