1-(oxan-2-ylsulfonyl)ethanamine

C7H15NO3S — CID 67637408

IUPAC1-(oxan-2-ylsulfonyl)ethanamine
SMILESCC(N)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C7H15NO3S/c1-6(8)12(9,10)7-4-2-3-5-11-7/h6-7H,2-5,8H2,1H3
InChIKeySNNVHKXRQDASSW-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.23
Rot. Bonds2

About 1-(oxan-2-ylsulfonyl)ethanamine

1-(oxan-2-ylsulfonyl)ethanamine (PubChem CID 67637408) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(oxan-2-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(oxan-2-ylsulfonyl)ethanamine
PubChem CID67637408
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-(oxan-2-ylsulfonyl)ethanamine
SMILESCC(N)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C7H15NO3S/c1-6(8)12(9,10)7-4-2-3-5-11-7/h6-7H,2-5,8H2,1H3
InChIKeySNNVHKXRQDASSW-UHFFFAOYSA-N
XLogP0.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylsulfonyl)ethanamine?
The IUPAC name of 1-(oxan-2-ylsulfonyl)ethanamine (CID 67637408) is 1-(oxan-2-ylsulfonyl)ethanamine.
What is the SMILES notation for 1-(oxan-2-ylsulfonyl)ethanamine?
The canonical SMILES for 1-(oxan-2-ylsulfonyl)ethanamine is CC(N)S(=O)(=O)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-ylsulfonyl)ethanamine?
The InChIKey is SNNVHKXRQDASSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6(8)12(9,10)7-4-2-3-5-11-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(oxan-2-ylsulfonyl)ethanamine?
1-(oxan-2-ylsulfonyl)ethanamine has a molecular weight of 193.27 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylsulfonyl)ethanamine is sourced from PubChem (CID 67637408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).