N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline

C12H19N3O2S — CID 62148456

IUPACN-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C12H19N3O2S/c1-13-11-5-3-4-6-12(11)18(16,17)15-9-7-14(2)8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKeyUDIQVBNDRLVRRA-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.66
Rot. Bonds3

About N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline

N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline (PubChem CID 62148456) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
PubChem CID62148456
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C12H19N3O2S/c1-13-11-5-3-4-6-12(11)18(16,17)15-9-7-14(2)8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKeyUDIQVBNDRLVRRA-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)sulfonylanilino]ethene-1,1,2-tricarbonitrile
CID 168608403
2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
CID 62143268
N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79165858
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline
CID 102745577
5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine
CID 141202772
methyl 2-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 47104022
1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)sulfonylanilino]pyrrole-2,5-dione
CID 168559379
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
CID 103302994
1-(2-methylphenyl)sulfonylaziridine
CID 22214975

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline (CID 62148456) is N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline is CNc1ccccc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The InChIKey is UDIQVBNDRLVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-11-5-3-4-6-12(11)18(16,17)15-9-7-14(2)8-10-15/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline?
N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline has a molecular weight of 269.37 g/mol, XLogP of 0.66, 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-methylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 62148456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).