1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride

C14H23BrClN3O2S — CID 120847332

IUPAC1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H22BrN3O2S.ClH/c1-14(2,16)11-17-7-9-18(10-8-17)21(19,20)13-5-3-12(15)4-6-13;/h3-6H,7-11,16H2,1-2H3;1H
InChIKeyMNQOXCPXIUPXBJ-UHFFFAOYSA-N
MW412.78 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120847332) has the molecular formula C14H23BrClN3O2S and a molecular weight of 412.78 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120847332
Molecular FormulaC14H23BrClN3O2S
Molecular Weight412.78 g/mol
Exact Mass411.04
IUPAC Name1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H22BrN3O2S.ClH/c1-14(2,16)11-17-7-9-18(10-8-17)21(19,20)13-5-3-12(15)4-6-13;/h3-6H,7-11,16H2,1-2H3;1H
InChIKeyMNQOXCPXIUPXBJ-UHFFFAOYSA-N
XLogP1.91
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847354
1-(4-bromophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 78787612
1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 6466955
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 60681226
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
1-[4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847455
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
1-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 31380445
[4-(4-bromophenyl)sulfonylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174624537
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120847332) is 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is MNQOXCPXIUPXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S.ClH/c1-14(2,16)11-17-7-9-18(10-8-17)21(19,20)13-5-3-12(15)4-6-13;/h3-6H,7-11,16H2,1-2H3;1H.
What are the key properties of 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 412.78 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120847332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).