2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide

C14H28N2O3S — CID 86828647

IUPAC2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide
SMILESCCS(=O)(=O)CC(=O)N(CC(C)C)C1CCN(C)CC1
InChIInChI=1S/C14H28N2O3S/c1-5-20(18,19)11-14(17)16(10-12(2)3)13-6-8-15(4)9-7-13/h12-13H,5-11H2,1-4H3
InChIKeyCWQIHZGAGZJEJM-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.00
Rot. Bonds6

About 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide

2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide (PubChem CID 86828647) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide
PubChem CID86828647
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide
SMILESCCS(=O)(=O)CC(=O)N(CC(C)C)C1CCN(C)CC1
InChIInChI=1S/C14H28N2O3S/c1-5-20(18,19)11-14(17)16(10-12(2)3)13-6-8-15(4)9-7-13/h12-13H,5-11H2,1-4H3
InChIKeyCWQIHZGAGZJEJM-UHFFFAOYSA-N
XLogP1.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide (CID 86828647) is 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide is CCS(=O)(=O)CC(=O)N(CC(C)C)C1CCN(C)CC1.
What is the InChIKey of 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is CWQIHZGAGZJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-20(18,19)11-14(17)16(10-12(2)3)13-6-8-15(4)9-7-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide?
2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 304.46 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 86828647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).