2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine

C15H23N3O3S — CID 4882124

IUPAC2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC(C)O1
InChIInChI=1S/C15H23N3O3S/c1-12-10-17(11-13(2)21-12)15-6-5-14(9-16-15)22(19,20)18-7-3-4-8-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
InChIKeyDPEWOLCAXXDJNA-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.48
Rot. Bonds3

About 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine

2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine (PubChem CID 4882124) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
PubChem CID4882124
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC(C)O1
InChIInChI=1S/C15H23N3O3S/c1-12-10-17(11-13(2)21-12)15-6-5-14(9-16-15)22(19,20)18-7-3-4-8-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
InChIKeyDPEWOLCAXXDJNA-UHFFFAOYSA-N
XLogP1.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine (CID 4882124) is 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine is CC1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine?
The InChIKey is DPEWOLCAXXDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-10-17(11-13(2)21-12)15-6-5-14(9-16-15)22(19,20)18-7-3-4-8-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine?
2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine has a molecular weight of 325.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine is sourced from PubChem (CID 4882124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).