(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C18H22N2OS — CID 97234841

IUPAC(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESc1cnc2c(CN[C@H]3CCO[C@@]4(CCSC4)C3)cccc2c1
InChIInChI=1S/C18H22N2OS/c1-3-14-5-2-8-19-17(14)15(4-1)12-20-16-6-9-21-18(11-16)7-10-22-13-18/h1-5,8,16,20H,6-7,9-13H2/t16-,18-/m0/s1
InChIKeyMPVQXOWPHVXIMM-WMZOPIPTSA-N
MW314.45 g/mol
LogP3.38
Rot. Bonds3

About (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 97234841) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID97234841
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESc1cnc2c(CN[C@H]3CCO[C@@]4(CCSC4)C3)cccc2c1
InChIInChI=1S/C18H22N2OS/c1-3-14-5-2-8-19-17(14)15(4-1)12-20-16-6-9-21-18(11-16)7-10-22-13-18/h1-5,8,16,20H,6-7,9-13H2/t16-,18-/m0/s1
InChIKeyMPVQXOWPHVXIMM-WMZOPIPTSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine with MolForge

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Related Compounds

2-fluoro-6-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]phenol
CID 136521458
N-[(3-methyl-4-pyridinyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114699889
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 166288065
N-[(1-methylpyrazol-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81455044
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
CID 97235146
(5S,9S)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124890554
N-[(2-methylpyrimidin-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895637
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
N-(1-pyridin-2-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895334
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 97234841) is (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is c1cnc2c(CN[C@H]3CCO[C@@]4(CCSC4)C3)cccc2c1.
What is the InChIKey of (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is MPVQXOWPHVXIMM-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-14-5-2-8-19-17(14)15(4-1)12-20-16-6-9-21-18(11-16)7-10-22-13-18/h1-5,8,16,20H,6-7,9-13H2/t16-,18-/m0/s1.
What are the key properties of (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 314.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97234841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).