1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride

C12H24ClN3O3S — CID 120571118

IUPAC1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCN2CCCS2(=O)=O)C1C.Cl
InChIInChI=1S/C12H23N3O3S.ClH/c1-10-11(2)15(8-5-13-10)12(16)4-7-14-6-3-9-19(14,17)18;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyWJQWAQHTHQBRKX-UHFFFAOYSA-N
MW325.86 g/mol
LogP0.04
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride (PubChem CID 120571118) has the molecular formula C12H24ClN3O3S and a molecular weight of 325.86 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride
PubChem CID120571118
Molecular FormulaC12H24ClN3O3S
Molecular Weight325.86 g/mol
Exact Mass325.12
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCN2CCCS2(=O)=O)C1C.Cl
InChIInChI=1S/C12H23N3O3S.ClH/c1-10-11(2)15(8-5-13-10)12(16)4-7-14-6-3-9-19(14,17)18;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyWJQWAQHTHQBRKX-UHFFFAOYSA-N
XLogP0.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride (CID 120571118) is 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride is CC1NCCN(C(=O)CCN2CCCS2(=O)=O)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride?
The InChIKey is WJQWAQHTHQBRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S.ClH/c1-10-11(2)15(8-5-13-10)12(16)4-7-14-6-3-9-19(14,17)18;/h10-11,13H,3-9H2,1-2H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120571118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).