(4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C17H24N2O4S — CID 1158041

IUPAC(4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C17H24N2O4S/c1-14-6-8-18(9-7-14)17(20)15-2-4-16(5-3-15)24(21,22)19-10-12-23-13-11-19/h2-5,14H,6-13H2,1H3
InChIKeySKXVJAMRMQRBLG-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.58
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 1158041) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID1158041
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C17H24N2O4S/c1-14-6-8-18(9-7-14)17(20)15-2-4-16(5-3-15)24(21,22)19-10-12-23-13-11-19/h2-5,14H,6-13H2,1H3
InChIKeySKXVJAMRMQRBLG-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 1158041) is (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is SKXVJAMRMQRBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-6-8-18(9-7-14)17(20)15-2-4-16(5-3-15)24(21,22)19-10-12-23-13-11-19/h2-5,14H,6-13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 352.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1158041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).