4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide

C14H24N4O2S — CID 61455535

IUPAC4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-12(2)16(3)21(19,20)18-9-7-17(8-10-18)14-6-4-5-13(15)11-14/h4-6,11-12H,7-10,15H2,1-3H3
InChIKeyDCKQIPZYSKNHBV-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.98
Rot. Bonds4

About 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide

4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 61455535) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID61455535
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-12(2)16(3)21(19,20)18-9-7-17(8-10-18)14-6-4-5-13(15)11-14/h4-6,11-12H,7-10,15H2,1-3H3
InChIKeyDCKQIPZYSKNHBV-UHFFFAOYSA-N
XLogP0.98
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
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,N-diethylpiperazine-1-sulfonamide
CID 43461730
4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide
CID 114804451
3-[4-(1H-pyrrol-3-ylsulfonyl)piperazin-1-yl]aniline
CID 43607049
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 46566639
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
CID 54947671
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
CID 61484816
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide (CID 61455535) is 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is DCKQIPZYSKNHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12(2)16(3)21(19,20)18-9-7-17(8-10-18)14-6-4-5-13(15)11-14/h4-6,11-12H,7-10,15H2,1-3H3.
What are the key properties of 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 61455535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).