2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine

C12H23NO2S — CID 102902989

IUPAC2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine
SMILESCC(CN)S(=O)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H23NO2S/c1-10(8-13)16(14)9-11-4-7-12(15-11)5-2-3-6-12/h10-11H,2-9,13H2,1H3
InChIKeyOGJNRFZDPCYORA-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.57
Rot. Bonds4

About 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine

2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine (PubChem CID 102902989) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine
PubChem CID102902989
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine
SMILESCC(CN)S(=O)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H23NO2S/c1-10(8-13)16(14)9-11-4-7-12(15-11)5-2-3-6-12/h10-11H,2-9,13H2,1H3
InChIKeyOGJNRFZDPCYORA-UHFFFAOYSA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butan-1-amine
CID 102903017
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butanoic acid
CID 102899718
2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine
CID 102903038
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propanoic acid
CID 102899699
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
CID 102901930
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
CID 102899508
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine?
The IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine (CID 102902989) is 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine?
The canonical SMILES for 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine is CC(CN)S(=O)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine?
The InChIKey is OGJNRFZDPCYORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(8-13)16(14)9-11-4-7-12(15-11)5-2-3-6-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine?
2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine is sourced from PubChem (CID 102902989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).