[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine

C13H21N3O2S — CID 80506021

IUPAC[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine
SMILESCc1ccccc1S(=O)(=O)N1CCN(C)CC1CN
InChIInChI=1S/C13H21N3O2S/c1-11-5-3-4-6-13(11)19(17,18)16-8-7-15(2)10-12(16)9-14/h3-6,12H,7-10,14H2,1-2H3
InChIKeyMQZSXWLWKYGYJB-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.26
Rot. Bonds3

About [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine

[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine (PubChem CID 80506021) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine
PubChem CID80506021
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine
SMILESCc1ccccc1S(=O)(=O)N1CCN(C)CC1CN
InChIInChI=1S/C13H21N3O2S/c1-11-5-3-4-6-13(11)19(17,18)16-8-7-15(2)10-12(16)9-14/h3-6,12H,7-10,14H2,1-2H3
InChIKeyMQZSXWLWKYGYJB-UHFFFAOYSA-N
XLogP0.26
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine (CID 80506021) is [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine is Cc1ccccc1S(=O)(=O)N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine?
The InChIKey is MQZSXWLWKYGYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-5-3-4-6-13(11)19(17,18)16-8-7-15(2)10-12(16)9-14/h3-6,12H,7-10,14H2,1-2H3.
What are the key properties of [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine?
[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).