N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline

C14H22N2O2S — CID 62658865

IUPACN-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
SMILESCN1CCCCC1CNc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O2S/c1-16-9-4-3-7-13(16)11-15-12-6-5-8-14(10-12)19(2,17)18/h5-6,8,10,13,15H,3-4,7,9,11H2,1-2H3
InChIKeyMEJWFOQLQGFDMD-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds4

About N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline

N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline (PubChem CID 62658865) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
PubChem CID62658865
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
SMILESCN1CCCCC1CNc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O2S/c1-16-9-4-3-7-13(16)11-15-12-6-5-8-14(10-12)19(2,17)18/h5-6,8,10,13,15H,3-4,7,9,11H2,1-2H3
InChIKeyMEJWFOQLQGFDMD-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
1-N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 82003046
3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 112721974
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline (CID 62658865) is N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline is CN1CCCCC1CNc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline?
The InChIKey is MEJWFOQLQGFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16-9-4-3-7-13(16)11-15-12-6-5-8-14(10-12)19(2,17)18/h5-6,8,10,13,15H,3-4,7,9,11H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline?
N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline has a molecular weight of 282.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline is sourced from PubChem (CID 62658865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).