2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine

C15H24N4O3S — CID 120763667

IUPAC2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCNCC2c2cccnc2)C(C)CO1
InChIInChI=1S/C15H24N4O3S/c1-12-11-22-13(2)10-19(12)23(20,21)18-7-6-17-9-15(18)14-4-3-5-16-8-14/h3-5,8,12-13,15,17H,6-7,9-11H2,1-2H3
InChIKeyNPROQPZXOVJJNL-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.38
Rot. Bonds3

About 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine

2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine (PubChem CID 120763667) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine
PubChem CID120763667
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCNCC2c2cccnc2)C(C)CO1
InChIInChI=1S/C15H24N4O3S/c1-12-11-22-13(2)10-19(12)23(20,21)18-7-6-17-9-15(18)14-4-3-5-16-8-14/h3-5,8,12-13,15,17H,6-7,9-11H2,1-2H3
InChIKeyNPROQPZXOVJJNL-UHFFFAOYSA-N
XLogP0.38
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120894939
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120764328
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-(2-bromo-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764349
1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine?
The IUPAC name of 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine (CID 120763667) is 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine.
What is the SMILES notation for 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine?
The canonical SMILES for 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCNCC2c2cccnc2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine?
The InChIKey is NPROQPZXOVJJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12-11-22-13(2)10-19(12)23(20,21)18-7-6-17-9-15(18)14-4-3-5-16-8-14/h3-5,8,12-13,15,17H,6-7,9-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine?
2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine has a molecular weight of 340.45 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 120763667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).