1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine

C13H28N2O2S — CID 43208060

IUPAC1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(C)CC(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)15-8-6-13(7-9-15)14-12(4)10-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBVDMBTRISBMFPL-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.82
Rot. Bonds6

About 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine

1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine (PubChem CID 43208060) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine
PubChem CID43208060
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(C)CC(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)15-8-6-13(7-9-15)14-12(4)10-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBVDMBTRISBMFPL-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine (CID 43208060) is 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NC(C)CC(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine?
The InChIKey is BVDMBTRISBMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-18(16,17)15-8-6-13(7-9-15)14-12(4)10-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine?
1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(4-methylpentan-2-yl)piperidin-4-amine is sourced from PubChem (CID 43208060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).