2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide

C15H26N4O2S — CID 120848242

IUPAC2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C15H26N4O2S/c1-15(2,16)12-18-8-10-19(11-9-18)13-6-4-5-7-14(13)22(20,21)17-3/h4-7,17H,8-12,16H2,1-3H3
InChIKeyZMUFRPUJKVPNRI-UHFFFAOYSA-N
MW326.47 g/mol
LogP0.45
Rot. Bonds5

About 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide

2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 120848242) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
PubChem CID120848242
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C15H26N4O2S/c1-15(2,16)12-18-8-10-19(11-9-18)13-6-4-5-7-14(13)22(20,21)17-3/h4-7,17H,8-12,16H2,1-3H3
InChIKeyZMUFRPUJKVPNRI-UHFFFAOYSA-N
XLogP0.45
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(4,4,4-trifluoro-2-hydroxybutyl)piperazin-1-yl]benzenesulfonamide
CID 119044725
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 120848238
N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
CID 166406112
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133410073
2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide
CID 86886071
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133457533
N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
CID 75369355
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide (CID 120848242) is 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCN(CC(C)(C)N)CC1.
What is the InChIKey of 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is ZMUFRPUJKVPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-15(2,16)12-18-8-10-19(11-9-18)13-6-4-5-7-14(13)22(20,21)17-3/h4-7,17H,8-12,16H2,1-3H3.
What are the key properties of 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide?
2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 326.47 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 120848242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).