(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone

C14H26N2O3S — CID 3306345

IUPAC(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H26N2O3S/c1-3-20(18,19)16-10-6-13(7-11-16)14(17)15-8-4-12(2)5-9-15/h12-13H,3-11H2,1-2H3
InChIKeyHHWGCMBGBMUUKB-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.31
Rot. Bonds3

About (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone

(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 3306345) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID3306345
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H26N2O3S/c1-3-20(18,19)16-10-6-13(7-11-16)14(17)15-8-4-12(2)5-9-15/h12-13H,3-11H2,1-2H3
InChIKeyHHWGCMBGBMUUKB-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 3306345) is (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HHWGCMBGBMUUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-3-20(18,19)16-10-6-13(7-11-16)14(17)15-8-4-12(2)5-9-15/h12-13H,3-11H2,1-2H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 302.44 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3306345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).