2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine

C11H21NO4S — CID 113449360

IUPAC2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CS(=O)(=O)C1CCOCC1)C1CCOC1
InChIInChI=1S/C11H21NO4S/c12-11(9-1-4-16-7-9)8-17(13,14)10-2-5-15-6-3-10/h9-11H,1-8,12H2
InChIKeyFFUZSCQDFYJYJV-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.06
Rot. Bonds4

About 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine

2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 113449360) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine
PubChem CID113449360
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CS(=O)(=O)C1CCOCC1)C1CCOC1
InChIInChI=1S/C11H21NO4S/c12-11(9-1-4-16-7-9)8-17(13,14)10-2-5-15-6-3-10/h9-11H,1-8,12H2
InChIKeyFFUZSCQDFYJYJV-UHFFFAOYSA-N
XLogP-0.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 104753957
3-amino-4-(oxan-4-ylsulfonyl)butan-1-ol
CID 64899314
ethyl 2-[2-amino-2-(oxolan-3-yl)ethyl]sulfonylacetate
CID 104754116
2-cyclohexylsulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754135
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(oxolan-3-yl)butan-1-amine
CID 63564938
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
CID 42614428
1-(oxolan-3-yl)propane-1-sulfonamide
CID 126976073
2-(2-nitrophenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104754041
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-cyclopropylsulfonylpropan-2-amine
CID 84651728
2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753897

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine (CID 113449360) is 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine is NC(CS(=O)(=O)C1CCOCC1)C1CCOC1.
What is the InChIKey of 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is FFUZSCQDFYJYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c12-11(9-1-4-16-7-9)8-17(13,14)10-2-5-15-6-3-10/h9-11H,1-8,12H2.
What are the key properties of 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine?
2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 263.36 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113449360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).