1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine

C12H23NO2S2 — CID 81190009

IUPAC1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H23NO2S2/c1-10(13)9-17(14)11-2-5-15-12(8-11)3-6-16-7-4-12/h10-11H,2-9,13H2,1H3
InChIKeyQQCYKTSTNPRYEX-UHFFFAOYSA-N
MW277.45 g/mol
LogP1.53
Rot. Bonds3

About 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine

1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine (PubChem CID 81190009) has the molecular formula C12H23NO2S2 and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine
PubChem CID81190009
Molecular FormulaC12H23NO2S2
Molecular Weight277.45 g/mol
Exact Mass277.12
IUPAC Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H23NO2S2/c1-10(13)9-17(14)11-2-5-15-12(8-11)3-6-16-7-4-12/h10-11H,2-9,13H2,1H3
InChIKeyQQCYKTSTNPRYEX-UHFFFAOYSA-N
XLogP1.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)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

Related Compounds

2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine
CID 81202372
2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)acetic acid
CID 79911642
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylsulfinyl)-2-methylpropanoate
CID 79911130
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116571732
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
2-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 116584069
N-ethyl-2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81015584
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
CID 79914967
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018043

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine?
The IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine (CID 81190009) is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine?
The canonical SMILES for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine is CC(N)CS(=O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine?
The InChIKey is QQCYKTSTNPRYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S2/c1-10(13)9-17(14)11-2-5-15-12(8-11)3-6-16-7-4-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine?
1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine is sourced from PubChem (CID 81190009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).