3-amino-1-(thiolan-3-yl)azetidin-2-one

C7H12N2OS — CID 103065563

IUPAC3-amino-1-(thiolan-3-yl)azetidin-2-one
SMILESNC1CN(C2CCSC2)C1=O
InChIInChI=1S/C7H12N2OS/c8-6-3-9(7(6)10)5-1-2-11-4-5/h5-6H,1-4,8H2
InChIKeyITUKINCNAXDUGJ-UHFFFAOYSA-N
MW172.25 g/mol
LogP-0.34
Rot. Bonds1

About 3-amino-1-(thiolan-3-yl)azetidin-2-one

3-amino-1-(thiolan-3-yl)azetidin-2-one (PubChem CID 103065563) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-amino-1-(thiolan-3-yl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(thiolan-3-yl)azetidin-2-one
PubChem CID103065563
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-amino-1-(thiolan-3-yl)azetidin-2-one
SMILESNC1CN(C2CCSC2)C1=O
InChIInChI=1S/C7H12N2OS/c8-6-3-9(7(6)10)5-1-2-11-4-5/h5-6H,1-4,8H2
InChIKeyITUKINCNAXDUGJ-UHFFFAOYSA-N
XLogP-0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(thiolan-3-yl)azetidin-2-one?
The IUPAC name of 3-amino-1-(thiolan-3-yl)azetidin-2-one (CID 103065563) is 3-amino-1-(thiolan-3-yl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(thiolan-3-yl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(thiolan-3-yl)azetidin-2-one is NC1CN(C2CCSC2)C1=O.
What is the InChIKey of 3-amino-1-(thiolan-3-yl)azetidin-2-one?
The InChIKey is ITUKINCNAXDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c8-6-3-9(7(6)10)5-1-2-11-4-5/h5-6H,1-4,8H2.
What are the key properties of 3-amino-1-(thiolan-3-yl)azetidin-2-one?
3-amino-1-(thiolan-3-yl)azetidin-2-one has a molecular weight of 172.25 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(thiolan-3-yl)azetidin-2-one is sourced from PubChem (CID 103065563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).