4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine

C18H30N4OS — CID 170119577

IUPAC4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCc1cc(SN2CCC3(CCC(N4CCOCC4)C3)CC2)n(C)n1
InChIInChI=1S/C18H30N4OS/c1-15-13-17(20(2)19-15)24-22-7-5-18(6-8-22)4-3-16(14-18)21-9-11-23-12-10-21/h13,16H,3-12,14H2,1-2H3
InChIKeyGYBXYFBUIDHVTR-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.70
Rot. Bonds3

About 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine

4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 170119577) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID170119577
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCc1cc(SN2CCC3(CCC(N4CCOCC4)C3)CC2)n(C)n1
InChIInChI=1S/C18H30N4OS/c1-15-13-17(20(2)19-15)24-22-7-5-18(6-8-22)4-3-16(14-18)21-9-11-23-12-10-21/h13,16H,3-12,14H2,1-2H3
InChIKeyGYBXYFBUIDHVTR-UHFFFAOYSA-N
XLogP2.70
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine (CID 170119577) is 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine is Cc1cc(SN2CCC3(CCC(N4CCOCC4)C3)CC2)n(C)n1.
What is the InChIKey of 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is GYBXYFBUIDHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-15-13-17(20(2)19-15)24-22-7-5-18(6-8-22)4-3-16(14-18)21-9-11-23-12-10-21/h13,16H,3-12,14H2,1-2H3.
What are the key properties of 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine?
4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine has a molecular weight of 350.53 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 170119577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).