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

C11H21NOS — CID 81021521

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
SMILESCC(N)CC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H21NOS/c1-9(12)6-10-2-4-13-11(7-10)3-5-14-8-11/h9-10H,2-8,12H2,1H3
InChIKeyDPMQFMFRISKJTM-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.03
Rot. Bonds2

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

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine (PubChem CID 81021521) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
PubChem CID81021521
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
SMILESCC(N)CC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H21NOS/c1-9(12)6-10-2-4-13-11(7-10)3-5-14-8-11/h9-10H,2-8,12H2,1H3
InChIKeyDPMQFMFRISKJTM-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine (CID 81021521) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine is CC(N)CC1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine?
The InChIKey is DPMQFMFRISKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(12)6-10-2-4-13-11(7-10)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-yl)propan-2-amine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine has a molecular weight of 215.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine is sourced from PubChem (CID 81021521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).