2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride

C19H32ClN3O3S — CID 119680795

IUPAC2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-5-10-19(4,20)18(23)21-11-13-22(14-12-21)26(24,25)17-8-6-16(7-9-17)15(2)3;/h6-9,15H,5,10-14,20H2,1-4H3;1H
InChIKeyVLKJRZJJWZICIR-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride

2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119680795) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID119680795
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC Name2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-5-10-19(4,20)18(23)21-11-13-22(14-12-21)26(24,25)17-8-6-16(7-9-17)15(2)3;/h6-9,15H,5,10-14,20H2,1-4H3;1H
InChIKeyVLKJRZJJWZICIR-UHFFFAOYSA-N
XLogP2.58
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
1-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796726
1-adamantyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26063053
4-(4-propan-2-ylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811973
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
3-methyl-5-oxo-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid
CID 6469150
2-(4-methoxyphenyl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24686573
N-butyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide
CID 8768337

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride (CID 119680795) is 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl.
What is the InChIKey of 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is VLKJRZJJWZICIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-5-10-19(4,20)18(23)21-11-13-22(14-12-21)26(24,25)17-8-6-16(7-9-17)15(2)3;/h6-9,15H,5,10-14,20H2,1-4H3;1H.
What are the key properties of 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride?
2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119680795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).