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

C19H32Cl2N4O3S — CID 119572490

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)NC(C)(CN)C3CC3)CC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-15-4-3-5-17(12-15)22-8-10-23(11-9-22)27(25,26)13-18(24)21-19(2,14-20)16-6-7-16;;/h3-5,12,16H,6-11,13-14,20H2,1-2H3,(H,21,24);2*1H
InChIKeyWDALHSJGGVSYON-UHFFFAOYSA-N
MW467.46 g/mol
LogP1.53
Rot. Bonds7

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride (PubChem CID 119572490) has the molecular formula C19H32Cl2N4O3S and a molecular weight of 467.46 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
PubChem CID119572490
Molecular FormulaC19H32Cl2N4O3S
Molecular Weight467.46 g/mol
Exact Mass466.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)NC(C)(CN)C3CC3)CC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-15-4-3-5-17(12-15)22-8-10-23(11-9-22)27(25,26)13-18(24)21-19(2,14-20)16-6-7-16;;/h3-5,12,16H,6-11,13-14,20H2,1-2H3,(H,21,24);2*1H
InChIKeyWDALHSJGGVSYON-UHFFFAOYSA-N
XLogP1.53
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
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2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)acetamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
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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
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone
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N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide
CID 166419172
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4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride (CID 119572490) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride is Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC(C)(CN)C3CC3)CC2)c1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
The InChIKey is WDALHSJGGVSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S.2ClH/c1-15-4-3-5-17(12-15)22-8-10-23(11-9-22)27(25,26)13-18(24)21-19(2,14-20)16-6-7-16;;/h3-5,12,16H,6-11,13-14,20H2,1-2H3,(H,21,24);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride has a molecular weight of 467.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride is sourced from PubChem (CID 119572490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).