(2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

C19H28N2O4S — CID 4069214

IUPAC(2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C19H28N2O4S/c1-3-16-6-4-5-9-21(16)19(22)18-14-17(8-7-15(18)2)26(23,24)20-10-12-25-13-11-20/h7-8,14,16H,3-6,9-13H2,1-2H3
InChIKeyBJPGTQXMLGYEPD-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.42
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

(2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 4069214) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID4069214
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name(2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C19H28N2O4S/c1-3-16-6-4-5-9-21(16)19(22)18-14-17(8-7-15(18)2)26(23,24)20-10-12-25-13-11-20/h7-8,14,16H,3-6,9-13H2,1-2H3
InChIKeyBJPGTQXMLGYEPD-UHFFFAOYSA-N
XLogP2.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (CID 4069214) is (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is CCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is BJPGTQXMLGYEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-16-6-4-5-9-21(16)19(22)18-14-17(8-7-15(18)2)26(23,24)20-10-12-25-13-11-20/h7-8,14,16H,3-6,9-13H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
(2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 380.51 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4069214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).