4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine

C19H29N3O3S — CID 25191579

IUPAC4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine
SMILESCC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H29N3O3S/c1-18(2)10-15-11-19(3,13-18)14-22(15)26(23,24)16-4-5-17(20-12-16)21-6-8-25-9-7-21/h4-5,12,15H,6-11,13-14H2,1-3H3
InChIKeyZRDDXSDYDVYFKW-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.51
Rot. Bonds3

About 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine

4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine (PubChem CID 25191579) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine
PubChem CID25191579
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine
SMILESCC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H29N3O3S/c1-18(2)10-15-11-19(3,13-18)14-22(15)26(23,24)16-4-5-17(20-12-16)21-6-8-25-9-7-21/h4-5,12,15H,6-11,13-14H2,1-3H3
InChIKeyZRDDXSDYDVYFKW-UHFFFAOYSA-N
XLogP2.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine (CID 25191579) is 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine is CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N3CCOCC3)nc2)C1.
What is the InChIKey of 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine?
The InChIKey is ZRDDXSDYDVYFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-18(2)10-15-11-19(3,13-18)14-22(15)26(23,24)16-4-5-17(20-12-16)21-6-8-25-9-7-21/h4-5,12,15H,6-11,13-14H2,1-3H3.
What are the key properties of 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine?
4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine has a molecular weight of 379.53 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 25191579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).