2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine

C11H21NOS — CID 79905570

IUPAC2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
SMILESCC(CN)SC1CCOC2(CCC2)C1
InChIInChI=1S/C11H21NOS/c1-9(8-12)14-10-3-6-13-11(7-10)4-2-5-11/h9-10H,2-8,12H2,1H3
InChIKeySIZDPRGNSGZWGG-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine

2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine (PubChem CID 79905570) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
PubChem CID79905570
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
SMILESCC(CN)SC1CCOC2(CCC2)C1
InChIInChI=1S/C11H21NOS/c1-9(8-12)14-10-3-6-13-11(7-10)4-2-5-11/h9-10H,2-8,12H2,1H3
InChIKeySIZDPRGNSGZWGG-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine with MolForge

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Related Compounds

3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)butan-1-amine
CID 79905431
3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)butanoic acid
CID 79904238
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
CID 79902946
methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
CID 79905208
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784
2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79906009
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79923080
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine?
The IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine (CID 79905570) is 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine is CC(CN)SC1CCOC2(CCC2)C1.
What is the InChIKey of 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine?
The InChIKey is SIZDPRGNSGZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(8-12)14-10-3-6-13-11(7-10)4-2-5-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine?
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 79905570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).