4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine

C18H32N2O2S — CID 10472451

IUPAC4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine
SMILESCC12CCC(N3CCOCC3)C(C)(CCC1N1CCOCC1)S2
InChIInChI=1S/C18H32N2O2S/c1-17-5-3-16(20-9-13-22-14-10-20)18(2,23-17)6-4-15(17)19-7-11-21-12-8-19/h15-16H,3-14H2,1-2H3
InChIKeyXEQJDQGNMGHYLE-UHFFFAOYSA-N
MW340.53 g/mol
LogP2.23
Rot. Bonds2

About 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine

4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine (PubChem CID 10472451) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine
PubChem CID10472451
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Name4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine
SMILESCC12CCC(N3CCOCC3)C(C)(CCC1N1CCOCC1)S2
InChIInChI=1S/C18H32N2O2S/c1-17-5-3-16(20-9-13-22-14-10-20)18(2,23-17)6-4-15(17)19-7-11-21-12-8-19/h15-16H,3-14H2,1-2H3
InChIKeyXEQJDQGNMGHYLE-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine?
The IUPAC name of 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine (CID 10472451) is 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine.
What is the SMILES notation for 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine?
The canonical SMILES for 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine is CC12CCC(N3CCOCC3)C(C)(CCC1N1CCOCC1)S2.
What is the InChIKey of 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine?
The InChIKey is XEQJDQGNMGHYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-17-5-3-16(20-9-13-22-14-10-20)18(2,23-17)6-4-15(17)19-7-11-21-12-8-19/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine?
4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine has a molecular weight of 340.53 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethyl-6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine is sourced from PubChem (CID 10472451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).