(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine

C9H17NO2S — CID 125452339

IUPAC(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)[C@H](N)[C@H]2CCCS(=O)(=O)[C@H]21
InChIInChI=1S/C9H17NO2S/c1-9(2)7(10)6-4-3-5-13(11,12)8(6)9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyHCQQMMJHCASZLZ-BWZBUEFSSA-N
MW203.31 g/mol
LogP0.55
Rot. Bonds

About (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine

(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine (PubChem CID 125452339) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine
PubChem CID125452339
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)[C@H](N)[C@H]2CCCS(=O)(=O)[C@H]21
InChIInChI=1S/C9H17NO2S/c1-9(2)7(10)6-4-3-5-13(11,12)8(6)9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyHCQQMMJHCASZLZ-BWZBUEFSSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
N-[(1,1-dioxothiolan-2-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81039121
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82768186
(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
CID 70671980
2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine
CID 117104721
6,6-dimethyl-1,1-dioxothiepan-2-amine
CID 91466096
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255
N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethylthian-3-amine
CID 81039272
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one
CID 117159114
2,2-dimethyl-1,1-dioxothietan-3-amine
CID 75525635
1-(1,1-dioxothian-2-yl)cyclopentan-1-amine
CID 115074027

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine?
The IUPAC name of (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine (CID 125452339) is (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine is CC1(C)[C@H](N)[C@H]2CCCS(=O)(=O)[C@H]21.
What is the InChIKey of (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine?
The InChIKey is HCQQMMJHCASZLZ-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2)7(10)6-4-3-5-13(11,12)8(6)9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine?
(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine has a molecular weight of 203.31 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 125452339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).