1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine

C17H26N2OS — CID 105170881

IUPAC1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine
SMILESNC(CCc1cccnc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H26N2OS/c18-16(4-3-14-2-1-8-19-13-14)15-5-9-20-17(12-15)6-10-21-11-7-17/h1-2,8,13,15-16H,3-7,9-12,18H2
InChIKeyCKBDMODSXPVWJG-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.03
Rot. Bonds4

About 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105170881) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105170881
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine
SMILESNC(CCc1cccnc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H26N2OS/c18-16(4-3-14-2-1-8-19-13-14)15-5-9-20-17(12-15)6-10-21-11-7-17/h1-2,8,13,15-16H,3-7,9-12,18H2
InChIKeyCKBDMODSXPVWJG-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanamine
CID 79914945
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-3-ylethanamine
CID 79914836
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105119747
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105170846
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437
2-(3-fluorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908149
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79914473
1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
CID 105170221
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212345
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine (CID 105170881) is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine is NC(CCc1cccnc1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is CKBDMODSXPVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c18-16(4-3-14-2-1-8-19-13-14)15-5-9-20-17(12-15)6-10-21-11-7-17/h1-2,8,13,15-16H,3-7,9-12,18H2.
What are the key properties of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine?
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 306.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105170881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).