3-thiophen-2-ylsulfonyloxan-4-amine

C9H13NO3S2 — CID 64645598

IUPAC3-thiophen-2-ylsulfonyloxan-4-amine
SMILESNC1CCOCC1S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c10-7-3-4-13-6-8(7)15(11,12)9-2-1-5-14-9/h1-2,5,7-8H,3-4,6,10H2
InChIKeyLZMQYNIGJPMJAZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.64
Rot. Bonds2

About 3-thiophen-2-ylsulfonyloxan-4-amine

3-thiophen-2-ylsulfonyloxan-4-amine (PubChem CID 64645598) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfonyloxan-4-amine.

Molecular Properties

Compound Name3-thiophen-2-ylsulfonyloxan-4-amine
PubChem CID64645598
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name3-thiophen-2-ylsulfonyloxan-4-amine
SMILESNC1CCOCC1S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c10-7-3-4-13-6-8(7)15(11,12)9-2-1-5-14-9/h1-2,5,7-8H,3-4,6,10H2
InChIKeyLZMQYNIGJPMJAZ-UHFFFAOYSA-N
XLogP0.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfonyloxan-4-amine?
The IUPAC name of 3-thiophen-2-ylsulfonyloxan-4-amine (CID 64645598) is 3-thiophen-2-ylsulfonyloxan-4-amine.
What is the SMILES notation for 3-thiophen-2-ylsulfonyloxan-4-amine?
The canonical SMILES for 3-thiophen-2-ylsulfonyloxan-4-amine is NC1CCOCC1S(=O)(=O)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfonyloxan-4-amine?
The InChIKey is LZMQYNIGJPMJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c10-7-3-4-13-6-8(7)15(11,12)9-2-1-5-14-9/h1-2,5,7-8H,3-4,6,10H2.
What are the key properties of 3-thiophen-2-ylsulfonyloxan-4-amine?
3-thiophen-2-ylsulfonyloxan-4-amine has a molecular weight of 247.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfonyloxan-4-amine is sourced from PubChem (CID 64645598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).