(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine

C13H20N2O2S — CID 106919079

IUPAC(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)ccc1CN
InChIInChI=1S/C13H20N2O2S/c1-11-9-13(6-5-12(11)10-14)18(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKeyJDNXBLUEVUQYLG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.63
Rot. Bonds3

About (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine

(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine (PubChem CID 106919079) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
PubChem CID106919079
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)ccc1CN
InChIInChI=1S/C13H20N2O2S/c1-11-9-13(6-5-12(11)10-14)18(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKeyJDNXBLUEVUQYLG-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethylazepan-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919435
4-[4-(aminomethyl)-3-methylphenyl]sulfonylpiperazine-2,6-dione
CID 106919481
[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 106919216
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine (CID 106919079) is (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine is Cc1cc(S(=O)(=O)N2CCCCC2)ccc1CN.
What is the InChIKey of (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is JDNXBLUEVUQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-9-13(6-5-12(11)10-14)18(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,14H2,1H3.
What are the key properties of (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine?
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 106919079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).