2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride

C17H30ClN3O2S — CID 120847370

IUPAC2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)cc1.Cl
InChIInChI=1S/C17H29N3O2S.ClH/c1-14(2)15-5-7-16(8-6-15)23(21,22)20-11-9-19(10-12-20)13-17(3,4)18;/h5-8,14H,9-13,18H2,1-4H3;1H
InChIKeyIVUIYLSKJULSBE-UHFFFAOYSA-N
MW375.97 g/mol
LogP2.28
Rot. Bonds5

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

2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride (PubChem CID 120847370) has the molecular formula C17H30ClN3O2S and a molecular weight of 375.97 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
PubChem CID120847370
Molecular FormulaC17H30ClN3O2S
Molecular Weight375.97 g/mol
Exact Mass375.17
IUPAC Name2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)cc1.Cl
InChIInChI=1S/C17H29N3O2S.ClH/c1-14(2)15-5-7-16(8-6-15)23(21,22)20-11-9-19(10-12-20)13-17(3,4)18;/h5-8,14H,9-13,18H2,1-4H3;1H
InChIKeyIVUIYLSKJULSBE-UHFFFAOYSA-N
XLogP2.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.97
LogP ≤ 52.28
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
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847354
tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate
CID 8819198
2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride
CID 119680795
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
(2S)-2-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8819224
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902944
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride (CID 120847370) is 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride is CC(C)c1ccc(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)cc1.Cl.
What is the InChIKey of 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride?
The InChIKey is IVUIYLSKJULSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S.ClH/c1-14(2)15-5-7-16(8-6-15)23(21,22)20-11-9-19(10-12-20)13-17(3,4)18;/h5-8,14H,9-13,18H2,1-4H3;1H.
What are the key properties of 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride?
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride has a molecular weight of 375.97 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120847370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).