[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride

C15H24Cl2N4O4S — CID 120939457

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C15H22N4O4S.2ClH/c1-12-14(17-5-10-23-12)15(20)18-6-8-19(9-7-18)24(21,22)13-3-2-4-16-11-13;;/h2-4,11-12,14,17H,5-10H2,1H3;2*1H/t12-,14+;;/m1../s1
InChIKeyCPHJGDKAGRCOSG-DAIKJZOUSA-N
MW427.35 g/mol
LogP0.14
Rot. Bonds3

About [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120939457) has the molecular formula C15H24Cl2N4O4S and a molecular weight of 427.35 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120939457
Molecular FormulaC15H24Cl2N4O4S
Molecular Weight427.35 g/mol
Exact Mass426.09
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C15H22N4O4S.2ClH/c1-12-14(17-5-10-23-12)15(20)18-6-8-19(9-7-18)24(21,22)13-3-2-4-16-11-13;;/h2-4,11-12,14,17H,5-10H2,1H3;2*1H/t12-,14+;;/m1../s1
InChIKeyCPHJGDKAGRCOSG-DAIKJZOUSA-N
XLogP0.14
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938074
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride (CID 120939457) is [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1.Cl.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is CPHJGDKAGRCOSG-DAIKJZOUSA-N. The full InChI is InChI=1S/C15H22N4O4S.2ClH/c1-12-14(17-5-10-23-12)15(20)18-6-8-19(9-7-18)24(21,22)13-3-2-4-16-11-13;;/h2-4,11-12,14,17H,5-10H2,1H3;2*1H/t12-,14+;;/m1../s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 427.35 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120939457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).