2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

C16H26ClN3O6S — CID 120983970

IUPAC2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.Cl
InChIInChI=1S/C16H25N3O6S.ClH/c1-23-11-13(17)16(20)18-6-8-19(9-7-18)26(21,22)15-10-12(24-2)4-5-14(15)25-3;/h4-5,10,13H,6-9,11,17H2,1-3H3;1H
InChIKeyZODNUUKKQOVORL-UHFFFAOYSA-N
MW423.92 g/mol
LogP-0.07
Rot. Bonds7

About 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (PubChem CID 120983970) has the molecular formula C16H26ClN3O6S and a molecular weight of 423.92 g/mol. Its IUPAC name is 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
PubChem CID120983970
Molecular FormulaC16H26ClN3O6S
Molecular Weight423.92 g/mol
Exact Mass423.12
IUPAC Name2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.Cl
InChIInChI=1S/C16H25N3O6S.ClH/c1-23-11-13(17)16(20)18-6-8-19(9-7-18)26(21,22)15-10-12(24-2)4-5-14(15)25-3;/h4-5,10,13H,6-9,11,17H2,1-3H3;1H
InChIKeyZODNUUKKQOVORL-UHFFFAOYSA-N
XLogP-0.07
TPSA111.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983562
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55702620
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-amino-3-methoxypropan-1-one
CID 120983396
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
(2S)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678714
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (CID 120983970) is 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is COCC(N)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The InChIKey is ZODNUUKKQOVORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S.ClH/c1-23-11-13(17)16(20)18-6-8-19(9-7-18)26(21,22)15-10-12(24-2)4-5-14(15)25-3;/h4-5,10,13H,6-9,11,17H2,1-3H3;1H.
What are the key properties of 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride has a molecular weight of 423.92 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120983970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).