[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone

C11H18N2OS — CID 166265757

IUPAC[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone
SMILESNC1(C2CN(C(=O)C3CCCS3)C2)CC1
InChIInChI=1S/C11H18N2OS/c12-11(3-4-11)8-6-13(7-8)10(14)9-2-1-5-15-9/h8-9H,1-7,12H2
InChIKeyMEBDZZLBJVEMFO-UHFFFAOYSA-N
MW226.34 g/mol
LogP0.83
Rot. Bonds2

About [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone

[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone (PubChem CID 166265757) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone
PubChem CID166265757
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone
SMILESNC1(C2CN(C(=O)C3CCCS3)C2)CC1
InChIInChI=1S/C11H18N2OS/c12-11(3-4-11)8-6-13(7-8)10(14)9-2-1-5-15-9/h8-9H,1-7,12H2
InChIKeyMEBDZZLBJVEMFO-UHFFFAOYSA-N
XLogP0.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone?
The IUPAC name of [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone (CID 166265757) is [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone.
What is the SMILES notation for [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone?
The canonical SMILES for [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone is NC1(C2CN(C(=O)C3CCCS3)C2)CC1.
What is the InChIKey of [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone?
The InChIKey is MEBDZZLBJVEMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c12-11(3-4-11)8-6-13(7-8)10(14)9-2-1-5-15-9/h8-9H,1-7,12H2.
What are the key properties of [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone?
[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone has a molecular weight of 226.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone is sourced from PubChem (CID 166265757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).