9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine

C9H17NOS — CID 82405263

IUPAC9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
SMILESNCC1CCOCC12CCSC2
InChIInChI=1S/C9H17NOS/c10-5-8-1-3-11-6-9(8)2-4-12-7-9/h8H,1-7,10H2
InChIKeyPYVXAOGOCKNDCJ-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.10
Rot. Bonds1

About 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine

9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine (PubChem CID 82405263) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine.

Molecular Properties

Compound Name9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
PubChem CID82405263
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
SMILESNCC1CCOCC12CCSC2
InChIInChI=1S/C9H17NOS/c10-5-8-1-3-11-6-9(8)2-4-12-7-9/h8H,1-7,10H2
InChIKeyPYVXAOGOCKNDCJ-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
CID 82406105
5-thiaspiro[2.4]heptan-2-ylmethanamine
CID 62704560
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
CID 83908267
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
7-thiaspiro[2.6]nonan-2-ylmethanamine
CID 83827269
5-thiaspiro[2.5]octan-8-amine
CID 82417837
1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
CID 146108126
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
spiro[3.3]heptan-3-ylmethanamine;hydrochloride
CID 139026678
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629

Frequently Asked Questions

What is the IUPAC name of 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine?
The IUPAC name of 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine (CID 82405263) is 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine.
What is the SMILES notation for 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine?
The canonical SMILES for 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine is NCC1CCOCC12CCSC2.
What is the InChIKey of 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine?
The InChIKey is PYVXAOGOCKNDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c10-5-8-1-3-11-6-9(8)2-4-12-7-9/h8H,1-7,10H2.
What are the key properties of 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine?
9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine has a molecular weight of 187.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine is sourced from PubChem (CID 82405263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).