1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C14H23N3O2S — CID 62992058

IUPAC1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCc1ccc(C(N)CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-12-3-5-13(6-4-12)14(15)11-16-7-9-17(10-8-16)20(2,18)19/h3-6,14H,7-11,15H2,1-2H3
InChIKeyJVUCVFWPXAHEGW-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.57
Rot. Bonds4

About 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 62992058) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID62992058
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCc1ccc(C(N)CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-12-3-5-13(6-4-12)14(15)11-16-7-9-17(10-8-16)20(2,18)19/h3-6,14H,7-11,15H2,1-2H3
InChIKeyJVUCVFWPXAHEGW-UHFFFAOYSA-N
XLogP0.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 107520951
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287841
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
2-amino-2-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone;hydrochloride
CID 120666957
4-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-2-amine
CID 63004932
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
CID 64575346
4-[4-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]aniline
CID 104501653

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 62992058) is 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is Cc1ccc(C(N)CN2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is JVUCVFWPXAHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-3-5-13(6-4-12)14(15)11-16-7-9-17(10-8-16)20(2,18)19/h3-6,14H,7-11,15H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 297.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 62992058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).