1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine

C11H21NOS2 — CID 79906005

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
SMILESCC(N)CSC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H21NOS2/c1-9(12)7-15-10-2-4-13-11(6-10)3-5-14-8-11/h9-10H,2-8,12H2,1H3
InChIKeyWZIVNQSTPYKTBW-UHFFFAOYSA-N
MW247.43 g/mol
LogP2.12
Rot. Bonds3

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine

1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine (PubChem CID 79906005) has the molecular formula C11H21NOS2 and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
PubChem CID79906005
Molecular FormulaC11H21NOS2
Molecular Weight247.43 g/mol
Exact Mass247.11
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
SMILESCC(N)CSC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H21NOS2/c1-9(12)7-15-10-2-4-13-11(6-10)3-5-14-8-11/h9-10H,2-8,12H2,1H3
InChIKeyWZIVNQSTPYKTBW-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906078
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
(2R)-2-amino-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propanoic acid
CID 79906197
2-acetamido-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propanoic acid
CID 79905395
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
2-amino-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79905978
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
CID 79899699
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79921016

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine (CID 79906005) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine is CC(N)CSC1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
The InChIKey is WZIVNQSTPYKTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS2/c1-9(12)7-15-10-2-4-13-11(6-10)3-5-14-8-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 2.12, 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-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 79906005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).