2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride

C11H24ClN3O3S — CID 119969720

IUPAC2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCNCC2C)CC(C)O1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-9-6-12-4-5-14(9)18(15,16)13-7-10(2)17-11(3)8-13;/h9-12H,4-8H2,1-3H3;1H
InChIKeyKIGQJVMJXZRSJL-UHFFFAOYSA-N
MW313.85 g/mol
LogP0.06
Rot. Bonds2

About 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride

2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride (PubChem CID 119969720) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
PubChem CID119969720
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC Name2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCNCC2C)CC(C)O1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-9-6-12-4-5-14(9)18(15,16)13-7-10(2)17-11(3)8-13;/h9-12H,4-8H2,1-3H3;1H
InChIKeyKIGQJVMJXZRSJL-UHFFFAOYSA-N
XLogP0.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride (CID 119969720) is 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride is CC1CN(S(=O)(=O)N2CCNCC2C)CC(C)O1.Cl.
What is the InChIKey of 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride?
The InChIKey is KIGQJVMJXZRSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-9-6-12-4-5-14(9)18(15,16)13-7-10(2)17-11(3)8-13;/h9-12H,4-8H2,1-3H3;1H.
What are the key properties of 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride?
2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride is sourced from PubChem (CID 119969720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).