4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride

C19H32ClN3O4S — CID 120586981

IUPAC4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(CN)OC)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-4-15(2)16-5-7-18(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)13-17(14-20)26-3;/h5-8,15,17H,4,9-14,20H2,1-3H3;1H
InChIKeyJQPJEBFPEOWUKJ-UHFFFAOYSA-N
MW434.00 g/mol
LogP1.82
Rot. Bonds8

About 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride

4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride (PubChem CID 120586981) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
PubChem CID120586981
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC Name4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(CN)OC)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-4-15(2)16-5-7-18(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)13-17(14-20)26-3;/h5-8,15,17H,4,9-14,20H2,1-3H3;1H
InChIKeyJQPJEBFPEOWUKJ-UHFFFAOYSA-N
XLogP1.82
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride with MolForge

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Related Compounds

[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
4-amino-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120587315
1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 2466148
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963645
4-amino-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one
CID 120587011
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
1-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 9155292
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride (CID 120586981) is 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(CN)OC)CC2)cc1.Cl.
What is the InChIKey of 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride?
The InChIKey is JQPJEBFPEOWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-4-15(2)16-5-7-18(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)13-17(14-20)26-3;/h5-8,15,17H,4,9-14,20H2,1-3H3;1H.
What are the key properties of 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride?
4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride is sourced from PubChem (CID 120586981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).