1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine

C15H22N2OS — CID 79914473

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
SMILESNC(Cc1ccncc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H22N2OS/c16-14(9-12-1-5-17-6-2-12)13-3-7-18-15(10-13)4-8-19-11-15/h1-2,5-6,13-14H,3-4,7-11,16H2
InChIKeySYUJHLPVTJKGKW-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.25
Rot. Bonds3

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine (PubChem CID 79914473) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
PubChem CID79914473
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
SMILESNC(Cc1ccncc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H22N2OS/c16-14(9-12-1-5-17-6-2-12)13-3-7-18-15(10-13)4-8-19-11-15/h1-2,5-6,13-14H,3-4,7-11,16H2
InChIKeySYUJHLPVTJKGKW-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-pyridin-3-ylethanamine
CID 79914945
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212345
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-amine
CID 105170669
2-(2,4-difluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79909997
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
(5S,9S)-N-[(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-yl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 97104121
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine (CID 79914473) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine is NC(Cc1ccncc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
The InChIKey is SYUJHLPVTJKGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-14(9-12-1-5-17-6-2-12)13-3-7-18-15(10-13)4-8-19-11-15/h1-2,5-6,13-14H,3-4,7-11,16H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine has a molecular weight of 278.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 79914473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).