3-cyanothiomorpholine-4-sulfonamide

C5H9N3O2S2 — CID 130667472

IUPAC3-cyanothiomorpholine-4-sulfonamide
SMILESN#CC1CSCCN1S(N)(=O)=O
InChIInChI=1S/C5H9N3O2S2/c6-3-5-4-11-2-1-8(5)12(7,9)10/h5H,1-2,4H2,(H2,7,9,10)
InChIKeyWPQMBLPMJUIASK-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.87
Rot. Bonds1

About 3-cyanothiomorpholine-4-sulfonamide

3-cyanothiomorpholine-4-sulfonamide (PubChem CID 130667472) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyanothiomorpholine-4-sulfonamide.

Molecular Properties

Compound Name3-cyanothiomorpholine-4-sulfonamide
PubChem CID130667472
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC Name3-cyanothiomorpholine-4-sulfonamide
SMILESN#CC1CSCCN1S(N)(=O)=O
InChIInChI=1S/C5H9N3O2S2/c6-3-5-4-11-2-1-8(5)12(7,9)10/h5H,1-2,4H2,(H2,7,9,10)
InChIKeyWPQMBLPMJUIASK-UHFFFAOYSA-N
XLogP-0.87
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyanothiomorpholine-4-sulfonamide?
The IUPAC name of 3-cyanothiomorpholine-4-sulfonamide (CID 130667472) is 3-cyanothiomorpholine-4-sulfonamide.
What is the SMILES notation for 3-cyanothiomorpholine-4-sulfonamide?
The canonical SMILES for 3-cyanothiomorpholine-4-sulfonamide is N#CC1CSCCN1S(N)(=O)=O.
What is the InChIKey of 3-cyanothiomorpholine-4-sulfonamide?
The InChIKey is WPQMBLPMJUIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c6-3-5-4-11-2-1-8(5)12(7,9)10/h5H,1-2,4H2,(H2,7,9,10).
What are the key properties of 3-cyanothiomorpholine-4-sulfonamide?
3-cyanothiomorpholine-4-sulfonamide has a molecular weight of 207.28 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanothiomorpholine-4-sulfonamide is sourced from PubChem (CID 130667472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).