1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride

C16H28ClN3O2S — CID 120847354

IUPAC1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)cc1C.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-13-5-6-15(11-14(13)2)22(20,21)19-9-7-18(8-10-19)12-16(3,4)17;/h5-6,11H,7-10,12,17H2,1-4H3;1H
InChIKeyXYHMBMRDWZLSPH-UHFFFAOYSA-N
MW361.94 g/mol
LogP1.77
Rot. Bonds4

About 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120847354) has the molecular formula C16H28ClN3O2S and a molecular weight of 361.94 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120847354
Molecular FormulaC16H28ClN3O2S
Molecular Weight361.94 g/mol
Exact Mass361.16
IUPAC Name1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)cc1C.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-13-5-6-15(11-14(13)2)22(20,21)19-9-7-18(8-10-19)12-16(3,4)17;/h5-6,11H,7-10,12,17H2,1-4H3;1H
InChIKeyXYHMBMRDWZLSPH-UHFFFAOYSA-N
XLogP1.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847332
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705350
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 3922922
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120847354) is 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)cc1C.Cl.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is XYHMBMRDWZLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.ClH/c1-13-5-6-15(11-14(13)2)22(20,21)19-9-7-18(8-10-19)12-16(3,4)17;/h5-6,11H,7-10,12,17H2,1-4H3;1H.
What are the key properties of 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 361.94 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120847354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).