(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C7H12N2OS — CID 154093045

IUPAC(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCC1(C)S[C@@H]2CC(=O)N2C1N
InChIInChI=1S/C7H12N2OS/c1-7(2)6(8)9-4(10)3-5(9)11-7/h5-6H,3,8H2,1-2H3/t5-,6?/m1/s1
InChIKeyWQOFOPDPLZTQGC-LWOQYNTDSA-N
MW172.25 g/mol
LogP0.35
Rot. Bonds

About (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 154093045) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID154093045
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCC1(C)S[C@@H]2CC(=O)N2C1N
InChIInChI=1S/C7H12N2OS/c1-7(2)6(8)9-4(10)3-5(9)11-7/h5-6H,3,8H2,1-2H3/t5-,6?/m1/s1
InChIKeyWQOFOPDPLZTQGC-LWOQYNTDSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one with MolForge

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Launch Full Analysis

Related Compounds

Aminopenam
CID 129761674
3,3-Dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 20269556
(5S)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 22790358
(5R)-3-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 67734427
(5S)-6-(aminomethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 67734428
(5R)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 69130124
5-Amino-3,3,6-trimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 138748457
(5R)-2-isocyanato-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 154128081
N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide
CID 88806123

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 154093045) is (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one is CC1(C)S[C@@H]2CC(=O)N2C1N.
What is the InChIKey of (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is WQOFOPDPLZTQGC-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(2)6(8)9-4(10)3-5(9)11-7/h5-6H,3,8H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 172.25 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 154093045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).