1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane

C26H47N3OS — CID 170066634

IUPAC1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC2(CC(SN3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1
InChIInChI=1S/C26H47N3OS/c1-20(2)27-12-5-9-25(18-27)16-23(17-25)31-28-13-7-22(8-14-28)24-6-10-26(11-15-30-19-26)29(24)21(3)4/h20-24H,5-19H2,1-4H3
InChIKeyXTCSKAJBLXODCH-UHFFFAOYSA-N
MW449.75 g/mol
LogP5.03
Rot. Bonds5

About 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane

1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 170066634) has the molecular formula C26H47N3OS and a molecular weight of 449.75 g/mol. Its IUPAC name is 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
PubChem CID170066634
Molecular FormulaC26H47N3OS
Molecular Weight449.75 g/mol
Exact Mass449.34
IUPAC Name1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC2(CC(SN3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1
InChIInChI=1S/C26H47N3OS/c1-20(2)27-12-5-9-25(18-27)16-23(17-25)31-28-13-7-22(8-14-28)24-6-10-26(11-15-30-19-26)29(24)21(3)4/h20-24H,5-19H2,1-4H3
InChIKeyXTCSKAJBLXODCH-UHFFFAOYSA-N
XLogP5.03
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.75
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane with MolForge

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Related Compounds

1-Propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
CID 131989667
1-Propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
CID 170076571

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane (CID 170066634) is 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane is CC(C)N1CCCC2(CC(SN3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1.
What is the InChIKey of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is XTCSKAJBLXODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3OS/c1-20(2)27-12-5-9-25(18-27)16-23(17-25)31-28-13-7-22(8-14-28)24-6-10-26(11-15-30-19-26)29(24)21(3)4/h20-24H,5-19H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 449.75 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)sulfanyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 170066634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).