4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine

C17H28N4O3S — CID 98137739

IUPAC4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
SMILESCCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)cn1
InChIInChI=1S/C17H28N4O3S/c1-2-20-13-16(10-18-20)25(22,23)21-11-14-4-3-5-15(12-21)17(14)19-6-8-24-9-7-19/h10,13-15,17H,2-9,11-12H2,1H3/t14-,15-/m1/s1
InChIKeyUVZFODHDNVIDNR-HUUCEWRRSA-N
MW368.50 g/mol
LogP1.02
Rot. Bonds4

About 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine

4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine (PubChem CID 98137739) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine.

Molecular Properties

Compound Name4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
PubChem CID98137739
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
SMILESCCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)cn1
InChIInChI=1S/C17H28N4O3S/c1-2-20-13-16(10-18-20)25(22,23)21-11-14-4-3-5-15(12-21)17(14)19-6-8-24-9-7-19/h10,13-15,17H,2-9,11-12H2,1H3/t14-,15-/m1/s1
InChIKeyUVZFODHDNVIDNR-HUUCEWRRSA-N
XLogP1.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine?
The IUPAC name of 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine (CID 98137739) is 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine.
What is the SMILES notation for 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine?
The canonical SMILES for 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine is CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)cn1.
What is the InChIKey of 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine?
The InChIKey is UVZFODHDNVIDNR-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-2-20-13-16(10-18-20)25(22,23)21-11-14-4-3-5-15(12-21)17(14)19-6-8-24-9-7-19/h10,13-15,17H,2-9,11-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine?
4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine has a molecular weight of 368.50 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine is sourced from PubChem (CID 98137739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).