[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine

C14H22N2O2S — CID 55040179

IUPAC[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1C
InChIInChI=1S/C14H22N2O2S/c1-11-4-3-9-16(12(11)2)19(17,18)14-7-5-13(10-15)6-8-14/h5-8,11-12H,3-4,9-10,15H2,1-2H3
InChIKeySSRIJGIYLYFOQE-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.95
Rot. Bonds3

About [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine

[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 55040179) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID55040179
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1C
InChIInChI=1S/C14H22N2O2S/c1-11-4-3-9-16(12(11)2)19(17,18)14-7-5-13(10-15)6-8-14/h5-8,11-12H,3-4,9-10,15H2,1-2H3
InChIKeySSRIJGIYLYFOQE-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
CID 65319523
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
2-[4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203419
[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
CID 81428114
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 82846493
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 62124169
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-iodobenzoic acid
CID 103962466

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 55040179) is [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine is CC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1C.
What is the InChIKey of [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is SSRIJGIYLYFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-3-9-16(12(11)2)19(17,18)14-7-5-13(10-15)6-8-14/h5-8,11-12H,3-4,9-10,15H2,1-2H3.
What are the key properties of [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 55040179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).