2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine

C12H23NO2S2 — CID 81202372

IUPAC2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NO2S2/c1-10(7-13)8-17(14)11-2-4-15-12(6-11)3-5-16-9-12/h10-11H,2-9,13H2,1H3
InChIKeySGBJMGGAKNQKLI-UHFFFAOYSA-N
MW277.45 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine

2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine (PubChem CID 81202372) has the molecular formula C12H23NO2S2 and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine
PubChem CID81202372
Molecular FormulaC12H23NO2S2
Molecular Weight277.45 g/mol
Exact Mass277.12
IUPAC Name2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NO2S2/c1-10(7-13)8-17(14)11-2-4-15-12(6-11)3-5-16-9-12/h10-11H,2-9,13H2,1H3
InChIKeySGBJMGGAKNQKLI-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)propan-2-amine
CID 81190009
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)acetic acid
CID 79911642
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 79912178
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylsulfinyl)-2-methylpropanoate
CID 79911130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine (CID 81202372) is 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine is CC(CN)CS(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine?
The InChIKey is SGBJMGGAKNQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S2/c1-10(7-13)8-17(14)11-2-4-15-12(6-11)3-5-16-9-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine?
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)propan-1-amine is sourced from PubChem (CID 81202372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).