(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C6H10N2OS — CID 67734427

IUPAC(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESNCC1CN2C(=O)C[C@H]2S1
InChIInChI=1S/C6H10N2OS/c7-2-4-3-8-5(9)1-6(8)10-4/h4,6H,1-3,7H2/t4?,6-/m1/s1
InChIKeyKABPSBXSJILYHH-BAFYGKSASA-N
MW158.23 g/mol
LogP-0.38
Rot. Bonds1

About (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 67734427) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID67734427
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESNCC1CN2C(=O)C[C@H]2S1
InChIInChI=1S/C6H10N2OS/c7-2-4-3-8-5(9)1-6(8)10-4/h4,6H,1-3,7H2/t4?,6-/m1/s1
InChIKeyKABPSBXSJILYHH-BAFYGKSASA-N
XLogP-0.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 67734427) is (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one is NCC1CN2C(=O)C[C@H]2S1.
What is the InChIKey of (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is KABPSBXSJILYHH-BAFYGKSASA-N. The full InChI is InChI=1S/C6H10N2OS/c7-2-4-3-8-5(9)1-6(8)10-4/h4,6H,1-3,7H2/t4?,6-/m1/s1.
What are the key properties of (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 158.23 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 67734427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).