5-morpholin-4-ylsulfonylthiophene-2-carbonitrile

C9H10N2O3S2 — CID 106265988

IUPAC5-morpholin-4-ylsulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C9H10N2O3S2/c10-7-8-1-2-9(15-8)16(12,13)11-3-5-14-6-4-11/h1-2H,3-6H2
InChIKeyFZMPQWBEYDVNLH-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.64
Rot. Bonds2

About 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile

5-morpholin-4-ylsulfonylthiophene-2-carbonitrile (PubChem CID 106265988) has the molecular formula C9H10N2O3S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonylthiophene-2-carbonitrile
PubChem CID106265988
Molecular FormulaC9H10N2O3S2
Molecular Weight258.32 g/mol
Exact Mass258.01
IUPAC Name5-morpholin-4-ylsulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C9H10N2O3S2/c10-7-8-1-2-9(15-8)16(12,13)11-3-5-14-6-4-11/h1-2H,3-6H2
InChIKeyFZMPQWBEYDVNLH-UHFFFAOYSA-N
XLogP0.64
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile (CID 106265988) is 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile?
The InChIKey is FZMPQWBEYDVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S2/c10-7-8-1-2-9(15-8)16(12,13)11-3-5-14-6-4-11/h1-2H,3-6H2.
What are the key properties of 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile?
5-morpholin-4-ylsulfonylthiophene-2-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106265988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).