3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline

C15H24N2O3S — CID 79610673

IUPAC3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
SMILESCOCc1cccc(NCC2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-20-12-13-5-3-7-15(9-13)16-10-14-6-4-8-17(11-14)21(2,18)19/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3
InChIKeyHYDRRGJSLQHIPN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.92
Rot. Bonds6

About 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline

3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline (PubChem CID 79610673) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
PubChem CID79610673
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
SMILESCOCc1cccc(NCC2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-20-12-13-5-3-7-15(9-13)16-10-14-6-4-8-17(11-14)21(2,18)19/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3
InChIKeyHYDRRGJSLQHIPN-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79622479
4-methoxy-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610681
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
4-fluoro-3-methoxy-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 114839567
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-4-propylaniline
CID 79613286
3-bromo-4-fluoro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 104777744
4-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79619930
3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707110
3-bromo-5-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 107583152
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline (CID 79610673) is 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline is COCc1cccc(NCC2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline?
The InChIKey is HYDRRGJSLQHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-12-13-5-3-7-15(9-13)16-10-14-6-4-8-17(11-14)21(2,18)19/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline?
3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline has a molecular weight of 312.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 79610673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).