2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine

C10H21NO2S — CID 104754510

IUPAC2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine
SMILESCCC(C)S(=O)CC(N)C1CCOC1
InChIInChI=1S/C10H21NO2S/c1-3-8(2)14(12)7-10(11)9-4-5-13-6-9/h8-10H,3-7,11H2,1-2H3
InChIKeyWGDLNCCCSAWODL-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.90
Rot. Bonds5

About 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine

2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104754510) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine
PubChem CID104754510
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine
SMILESCCC(C)S(=O)CC(N)C1CCOC1
InChIInChI=1S/C10H21NO2S/c1-3-8(2)14(12)7-10(11)9-4-5-13-6-9/h8-10H,3-7,11H2,1-2H3
InChIKeyWGDLNCCCSAWODL-UHFFFAOYSA-N
XLogP0.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 104753957
3-butan-2-yloxolane;ethane
CID 143988733
1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethanamine
CID 104754556
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
3-(1-ethoxyethyl)oxolane
CID 11788363

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine (CID 104754510) is 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine is CCC(C)S(=O)CC(N)C1CCOC1.
What is the InChIKey of 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is WGDLNCCCSAWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-8(2)14(12)7-10(11)9-4-5-13-6-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine?
2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 219.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104754510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).