1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride

C15H21ClN4O3S — CID 119373569

IUPAC1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride
SMILESCN(CC(=O)N1CCC(N)CC1)C1=NS(=O)(=O)c2ccccc21.Cl
InChIInChI=1S/C15H20N4O3S.ClH/c1-18(10-14(20)19-8-6-11(16)7-9-19)15-12-4-2-3-5-13(12)23(21,22)17-15;/h2-5,11H,6-10,16H2,1H3;1H
InChIKeyDVAPXEBTRWFJRZ-UHFFFAOYSA-N
MW372.88 g/mol
LogP0.44
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride (PubChem CID 119373569) has the molecular formula C15H21ClN4O3S and a molecular weight of 372.88 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride
PubChem CID119373569
Molecular FormulaC15H21ClN4O3S
Molecular Weight372.88 g/mol
Exact Mass372.10
IUPAC Name1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride
SMILESCN(CC(=O)N1CCC(N)CC1)C1=NS(=O)(=O)c2ccccc21.Cl
InChIInChI=1S/C15H20N4O3S.ClH/c1-18(10-14(20)19-8-6-11(16)7-9-19)15-12-4-2-3-5-13(12)23(21,22)17-15;/h2-5,11H,6-10,16H2,1H3;1H
InChIKeyDVAPXEBTRWFJRZ-UHFFFAOYSA-N
XLogP0.44
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride (CID 119373569) is 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride is CN(CC(=O)N1CCC(N)CC1)C1=NS(=O)(=O)c2ccccc21.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride?
The InChIKey is DVAPXEBTRWFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S.ClH/c1-18(10-14(20)19-8-6-11(16)7-9-19)15-12-4-2-3-5-13(12)23(21,22)17-15;/h2-5,11H,6-10,16H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride has a molecular weight of 372.88 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride is sourced from PubChem (CID 119373569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).