N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline

C14H23N3O2S — CID 63266177

IUPACN-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline
SMILESCN(CCN1CCNCC1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-16(11-12-17-9-7-15-8-10-17)13-5-3-4-6-14(13)20(2,18)19/h3-6,15H,7-12H2,1-2H3
InChIKeyCXYPXVYKCXMJQX-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline

N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline (PubChem CID 63266177) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline
PubChem CID63266177
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline
SMILESCN(CCN1CCNCC1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-16(11-12-17-9-7-15-8-10-17)13-5-3-4-6-14(13)20(2,18)19/h3-6,15H,7-12H2,1-2H3
InChIKeyCXYPXVYKCXMJQX-UHFFFAOYSA-N
XLogP0.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline?
The IUPAC name of N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline (CID 63266177) is N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline.
What is the SMILES notation for N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline?
The canonical SMILES for N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline is CN(CCN1CCNCC1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline?
The InChIKey is CXYPXVYKCXMJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16(11-12-17-9-7-15-8-10-17)13-5-3-4-6-14(13)20(2,18)19/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline?
N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline has a molecular weight of 297.42 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline is sourced from PubChem (CID 63266177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).