2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride

C14H30ClN3O3S — CID 119993696

IUPAC2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)N1CC(C)OC(C)C1.Cl
InChIInChI=1S/C14H29N3O3S.ClH/c1-4-9-17(14-5-7-15-8-6-14)21(18,19)16-10-12(2)20-13(3)11-16;/h12-15H,4-11H2,1-3H3;1H
InChIKeyBHFCYABODOKBMQ-UHFFFAOYSA-N
MW355.93 g/mol
LogP1.23
Rot. Bonds5

About 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride

2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride (PubChem CID 119993696) has the molecular formula C14H30ClN3O3S and a molecular weight of 355.93 g/mol. Its IUPAC name is 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
PubChem CID119993696
Molecular FormulaC14H30ClN3O3S
Molecular Weight355.93 g/mol
Exact Mass355.17
IUPAC Name2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)N1CC(C)OC(C)C1.Cl
InChIInChI=1S/C14H29N3O3S.ClH/c1-4-9-17(14-5-7-15-8-6-14)21(18,19)16-10-12(2)20-13(3)11-16;/h12-15H,4-11H2,1-3H3;1H
InChIKeyBHFCYABODOKBMQ-UHFFFAOYSA-N
XLogP1.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.93
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride?
The IUPAC name of 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride (CID 119993696) is 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)N1CC(C)OC(C)C1.Cl.
What is the InChIKey of 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride?
The InChIKey is BHFCYABODOKBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S.ClH/c1-4-9-17(14-5-7-15-8-6-14)21(18,19)16-10-12(2)20-13(3)11-16;/h12-15H,4-11H2,1-3H3;1H.
What are the key properties of 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride?
2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119993696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).