1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine

C9H20N2O2S — CID 67242779

IUPAC1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)11-6-5-9(10-3)8(2)7-11/h8-10H,4-7H2,1-3H3
InChIKeyZLNXEUSWEDMYOD-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.27
Rot. Bonds3

About 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine

1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine (PubChem CID 67242779) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine
PubChem CID67242779
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)11-6-5-9(10-3)8(2)7-11/h8-10H,4-7H2,1-3H3
InChIKeyZLNXEUSWEDMYOD-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine (CID 67242779) is 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NC)C(C)C1.
What is the InChIKey of 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine?
The InChIKey is ZLNXEUSWEDMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-14(12,13)11-6-5-9(10-3)8(2)7-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine?
1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine has a molecular weight of 220.34 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 67242779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).