[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine

C15H28N2OS — CID 116640553

IUPAC[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28N2OS/c16-11-14-4-2-1-3-7-17(14)13-5-8-18-15(10-13)6-9-19-12-15/h13-14H,1-12,16H2
InChIKeyMAUCIJXUDUKZDF-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.24
Rot. Bonds2

About [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine

[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine (PubChem CID 116640553) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
PubChem CID116640553
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28N2OS/c16-11-14-4-2-1-3-7-17(14)13-5-8-18-15(10-13)6-9-19-12-15/h13-14H,1-12,16H2
InChIKeyMAUCIJXUDUKZDF-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338580
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
CID 79905876
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
CID 79904096
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
CID 106744745
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339

Frequently Asked Questions

What is the IUPAC name of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine?
The IUPAC name of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine (CID 116640553) is [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine is NCC1CCCCCN1C1CCOC2(CCSC2)C1.
What is the InChIKey of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine?
The InChIKey is MAUCIJXUDUKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c16-11-14-4-2-1-3-7-17(14)13-5-8-18-15(10-13)6-9-19-12-15/h13-14H,1-12,16H2.
What are the key properties of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine?
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine has a molecular weight of 284.47 g/mol, XLogP of 2.24, 2 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)azepan-2-yl]methanamine is sourced from PubChem (CID 116640553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).