N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline

C12H19N3O2S — CID 71142174

IUPACN-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
SMILESCNc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H19N3O2S/c1-13-11-5-3-4-6-12(11)14-7-9-15(10-8-14)18(2,16)17/h3-6,13H,7-10H2,1-2H3
InChIKeyMBDSNVMLAHPNTG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline

N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline (PubChem CID 71142174) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
PubChem CID71142174
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
SMILESCNc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H19N3O2S/c1-13-11-5-3-4-6-12(11)14-7-9-15(10-8-14)18(2,16)17/h3-6,13H,7-10H2,1-2H3
InChIKeyMBDSNVMLAHPNTG-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
CID 3824582
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888
N-methyl-2-thiomorpholin-4-ylaniline
CID 144901042
(E)-3-(furan-2-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 6110387
2-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 153409878
N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3655401
4-bromo-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3363390
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitrobenzamide
CID 4655333

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline?
The IUPAC name of N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline (CID 71142174) is N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline?
The canonical SMILES for N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline is CNc1ccccc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline?
The InChIKey is MBDSNVMLAHPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-11-5-3-4-6-12(11)14-7-9-15(10-8-14)18(2,16)17/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline?
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline has a molecular weight of 269.37 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline is sourced from PubChem (CID 71142174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).