(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone

C15H21NO3S — CID 42889122

IUPAC(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESCC1CCCCN1C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO3S/c1-12-5-3-4-10-16(12)15(17)14-8-6-13(7-9-14)11-20(2,18)19/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyYEVDIWQYSZVCCU-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.25
Rot. Bonds3

About (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone

(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone (PubChem CID 42889122) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
PubChem CID42889122
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESCC1CCCCN1C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO3S/c1-12-5-3-4-10-16(12)15(17)14-8-6-13(7-9-14)11-20(2,18)19/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyYEVDIWQYSZVCCU-UHFFFAOYSA-N
XLogP2.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylsulfonylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43239530
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 32747160
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone (CID 42889122) is (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone is CC1CCCCN1C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone?
The InChIKey is YEVDIWQYSZVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-5-3-4-10-16(12)15(17)14-8-6-13(7-9-14)11-20(2,18)19/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone?
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone has a molecular weight of 295.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 42889122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).