2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine

C10H21NO3S — CID 104753957

IUPAC2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)CS(=O)(=O)CC(N)C1CCOC1
InChIInChI=1S/C10H21NO3S/c1-8(2)6-15(12,13)7-10(11)9-3-4-14-5-9/h8-10H,3-7,11H2,1-2H3
InChIKeyCJUXBWYBIDYUEY-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.42
Rot. Bonds5

About 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine

2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104753957) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
PubChem CID104753957
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)CS(=O)(=O)CC(N)C1CCOC1
InChIInChI=1S/C10H21NO3S/c1-8(2)6-15(12,13)7-10(11)9-3-4-14-5-9/h8-10H,3-7,11H2,1-2H3
InChIKeyCJUXBWYBIDYUEY-UHFFFAOYSA-N
XLogP0.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-amino-2-(oxolan-3-yl)ethyl]sulfonylacetate
CID 104754116
2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 113449360
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
1-(oxolan-3-yl)butan-1-amine
CID 63564938
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754510
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine (CID 104753957) is 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine is CC(C)CS(=O)(=O)CC(N)C1CCOC1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is CJUXBWYBIDYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)6-15(12,13)7-10(11)9-3-4-14-5-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine?
2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 235.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104753957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).