2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline

C14H22N2O2S — CID 55247260

IUPAC2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline
SMILESCS(=O)(=O)c1ccccc1NCCC1CCCNC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)14-7-3-2-6-13(14)16-10-8-12-5-4-9-15-11-12/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3
InChIKeyLVFQZLNOQREHOZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds5

About 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline

2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline (PubChem CID 55247260) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline
PubChem CID55247260
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline
SMILESCS(=O)(=O)c1ccccc1NCCC1CCCNC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)14-7-3-2-6-13(14)16-10-8-12-5-4-9-15-11-12/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3
InChIKeyLVFQZLNOQREHOZ-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563795
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
3-fluoro-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 63629259
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751
2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile
CID 63629760
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline?
The IUPAC name of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline (CID 55247260) is 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline.
What is the SMILES notation for 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline?
The canonical SMILES for 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline is CS(=O)(=O)c1ccccc1NCCC1CCCNC1.
What is the InChIKey of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline?
The InChIKey is LVFQZLNOQREHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)14-7-3-2-6-13(14)16-10-8-12-5-4-9-15-11-12/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline?
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline has a molecular weight of 282.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 55247260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).