N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride

C17H30Cl2N4O3S — CID 119997889

IUPACN-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC(C)CN)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O3S.2ClH/c1-14-4-3-5-16(10-14)20-6-8-21(9-7-20)25(23,24)13-17(22)19-12-15(2)11-18;;/h3-5,10,15H,6-9,11-13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyHZMLAQLJAKFTKE-UHFFFAOYSA-N
MW441.43 g/mol
LogP1.00
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride

N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride (PubChem CID 119997889) has the molecular formula C17H30Cl2N4O3S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
PubChem CID119997889
Molecular FormulaC17H30Cl2N4O3S
Molecular Weight441.43 g/mol
Exact Mass440.14
IUPAC NameN-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC(C)CN)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O3S.2ClH/c1-14-4-3-5-16(10-14)20-6-8-21(9-7-20)25(23,24)13-17(22)19-12-15(2)11-18;;/h3-5,10,15H,6-9,11-13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyHZMLAQLJAKFTKE-UHFFFAOYSA-N
XLogP1.00
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
CID 119572490
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide
CID 166419172
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533705
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide
CID 119652728
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone;dihydrochloride
CID 120657575
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120555368
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone
CID 124589148
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride (CID 119997889) is N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride is Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC(C)CN)CC2)c1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
The InChIKey is HZMLAQLJAKFTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.2ClH/c1-14-4-3-5-16(10-14)20-6-8-21(9-7-20)25(23,24)13-17(22)19-12-15(2)11-18;;/h3-5,10,15H,6-9,11-13,18H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride has a molecular weight of 441.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride is sourced from PubChem (CID 119997889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).