(3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

C19H28N2O4S — CID 4123217

IUPAC(3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H28N2O4S/c1-14-10-15(2)13-20(12-14)19(22)18-11-17(5-4-16(18)3)26(23,24)21-6-8-25-9-7-21/h4-5,11,14-15H,6-10,12-13H2,1-3H3
InChIKeyBKYTTYVXKYOVQC-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.13
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

(3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 4123217) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID4123217
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H28N2O4S/c1-14-10-15(2)13-20(12-14)19(22)18-11-17(5-4-16(18)3)26(23,24)21-6-8-25-9-7-21/h4-5,11,14-15H,6-10,12-13H2,1-3H3
InChIKeyBKYTTYVXKYOVQC-UHFFFAOYSA-N
XLogP2.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (CID 4123217) is (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is BKYTTYVXKYOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-10-15(2)13-20(12-14)19(22)18-11-17(5-4-16(18)3)26(23,24)21-6-8-25-9-7-21/h4-5,11,14-15H,6-10,12-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 380.51 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4123217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).