[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

C15H22N2O3S — CID 60819092

IUPAC[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-3-16-13-7-9-17(10-8-13)15(18)12-5-4-6-14(11-12)21(2,19)20/h4-6,11,13,16H,3,7-10H2,1-2H3
InChIKeyWVHJMNRHGXPVKY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.30
Rot. Bonds4

About [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 60819092) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID60819092
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-3-16-13-7-9-17(10-8-13)15(18)12-5-4-6-14(11-12)21(2,19)20/h4-6,11,13,16H,3,7-10H2,1-2H3
InChIKeyWVHJMNRHGXPVKY-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
[4-(3-ethoxyphenoxy)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 67169946
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114801186
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114802108
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
[4-(2,2-dimethylpropyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 110313619
4-[4-(ethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 114039612
(3-aminoazetidin-1-yl)-(3-methylsulfonylphenyl)methanone
CID 63753281

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 60819092) is [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone is CCNC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is WVHJMNRHGXPVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-16-13-7-9-17(10-8-13)15(18)12-5-4-6-14(11-12)21(2,19)20/h4-6,11,13,16H,3,7-10H2,1-2H3.
What are the key properties of [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 310.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 60819092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).