(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C11H18N2OS — CID 70255286

IUPAC(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESC=C1N2C(=O)[C@@H](CCC)[C@]2(N)SC1(C)C
InChIInChI=1S/C11H18N2OS/c1-5-6-8-9(14)13-7(2)10(3,4)15-11(8,13)12/h8H,2,5-6,12H2,1,3-4H3/t8-,11-/m1/s1
InChIKeyCNLALWFBZZINKZ-LDYMZIIASA-N
MW226.34 g/mol
LogP1.90
Rot. Bonds2

About (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 70255286) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID70255286
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESC=C1N2C(=O)[C@@H](CCC)[C@]2(N)SC1(C)C
InChIInChI=1S/C11H18N2OS/c1-5-6-8-9(14)13-7(2)10(3,4)15-11(8,13)12/h8H,2,5-6,12H2,1,3-4H3/t8-,11-/m1/s1
InChIKeyCNLALWFBZZINKZ-LDYMZIIASA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one with MolForge

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Related Compounds

(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one
CID 58773526
(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
CID 12789509
5-amino-4-ethyl-2-hydroxy-4,6-dimethyl-3-propylcyclohexa-1,5-diene-1-carboxylic acid
CID 175262441
1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one
CID 23594536
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
CID 43630187
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
CID 106458956
3-ethyl-3,4-dimethyloxetan-2-one
CID 87128552
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
2,2,5-trimethyl-3-propylimidazolidin-4-one
CID 126995577
3,3-dimethyl-4-propylpyrrolidin-2-one
CID 89424311
1,4,4-trimethyl-5-propylimidazolidin-2-one
CID 123476601
4-methyl-3,4-dipropylpiperidine-2,6-dione
CID 79317576

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 70255286) is (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one is C=C1N2C(=O)[C@@H](CCC)[C@]2(N)SC1(C)C.
What is the InChIKey of (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is CNLALWFBZZINKZ-LDYMZIIASA-N. The full InChI is InChI=1S/C11H18N2OS/c1-5-6-8-9(14)13-7(2)10(3,4)15-11(8,13)12/h8H,2,5-6,12H2,1,3-4H3/t8-,11-/m1/s1.
What are the key properties of (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 226.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 70255286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).