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

C14H24N4O2S — CID 120847656

IUPAC4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
SMILESCC(C)(N)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,15)11-17-7-9-18(10-8-17)12-3-5-13(6-4-12)21(16,19)20/h3-6H,7-11,15H2,1-2H3,(H2,16,19,20)
InChIKeyDTYCWQOGAVEXHQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.19
Rot. Bonds4

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

4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 120847656) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
PubChem CID120847656
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
SMILESCC(C)(N)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,15)11-17-7-9-18(10-8-17)12-3-5-13(6-4-12)21(16,19)20/h3-6H,7-11,15H2,1-2H3,(H2,16,19,20)
InChIKeyDTYCWQOGAVEXHQ-UHFFFAOYSA-N
XLogP0.19
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 146138395
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847332
N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877647
2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171996432
4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 172902149
4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 78877654
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
CID 171997094

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide (CID 120847656) is 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide is CC(C)(N)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is DTYCWQOGAVEXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,15)11-17-7-9-18(10-8-17)12-3-5-13(6-4-12)21(16,19)20/h3-6H,7-11,15H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 120847656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).