4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide

C14H24N4O2S — CID 114804451

IUPAC4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)16-21(19,20)18-9-7-17(8-10-18)13-6-4-5-12(15)11-13/h4-6,11,16H,7-10,15H2,1-3H3
InChIKeyNCYGCVASNSOOOY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.02
Rot. Bonds3

About 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide

4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide (PubChem CID 114804451) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide
PubChem CID114804451
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)16-21(19,20)18-9-7-17(8-10-18)13-6-4-5-12(15)11-13/h4-6,11,16H,7-10,15H2,1-3H3
InChIKeyNCYGCVASNSOOOY-UHFFFAOYSA-N
XLogP1.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 61455535
4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 43461730
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
3-[4-(1H-pyrrol-3-ylsulfonyl)piperazin-1-yl]aniline
CID 43607049
3-(1,4-diazepan-1-yl)aniline
CID 22478590
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]aniline
CID 115942867
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297985
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide (CID 114804451) is 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide?
The InChIKey is NCYGCVASNSOOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,3)16-21(19,20)18-9-7-17(8-10-18)13-6-4-5-12(15)11-13/h4-6,11,16H,7-10,15H2,1-3H3.
What are the key properties of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide?
4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide is sourced from PubChem (CID 114804451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).