3-amino-4-sulfanylidenecyclopentan-1-one

C5H7NOS — CID 130319978

IUPAC3-amino-4-sulfanylidenecyclopentan-1-one
SMILESNC1CC(=O)CC1=S
InChIInChI=1S/C5H7NOS/c6-4-1-3(7)2-5(4)8/h4H,1-2,6H2
InChIKeyMUNRMIBYFYGXSA-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.05
Rot. Bonds

About 3-amino-4-sulfanylidenecyclopentan-1-one

3-amino-4-sulfanylidenecyclopentan-1-one (PubChem CID 130319978) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-amino-4-sulfanylidenecyclopentan-1-one.

Molecular Properties

Compound Name3-amino-4-sulfanylidenecyclopentan-1-one
PubChem CID130319978
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name3-amino-4-sulfanylidenecyclopentan-1-one
SMILESNC1CC(=O)CC1=S
InChIInChI=1S/C5H7NOS/c6-4-1-3(7)2-5(4)8/h4H,1-2,6H2
InChIKeyMUNRMIBYFYGXSA-UHFFFAOYSA-N
XLogP0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-Aminocyclopentanone
CID 54023725
(3R)-3-aminocyclopentan-1-one
CID 86332552
(S)-3-Aminocyclopentan-1-one
CID 86332554
[(1R)-2-amino-4-oxocyclopentyl] thiohypoiodite
CID 141850669
3-Aminocyclopentanone hydrochloride
CID 71711093

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-sulfanylidenecyclopentan-1-one?
The IUPAC name of 3-amino-4-sulfanylidenecyclopentan-1-one (CID 130319978) is 3-amino-4-sulfanylidenecyclopentan-1-one.
What is the SMILES notation for 3-amino-4-sulfanylidenecyclopentan-1-one?
The canonical SMILES for 3-amino-4-sulfanylidenecyclopentan-1-one is NC1CC(=O)CC1=S.
What is the InChIKey of 3-amino-4-sulfanylidenecyclopentan-1-one?
The InChIKey is MUNRMIBYFYGXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c6-4-1-3(7)2-5(4)8/h4H,1-2,6H2.
What are the key properties of 3-amino-4-sulfanylidenecyclopentan-1-one?
3-amino-4-sulfanylidenecyclopentan-1-one has a molecular weight of 129.18 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-sulfanylidenecyclopentan-1-one is sourced from PubChem (CID 130319978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).