(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide

C5H8O2S — CID 11116105

IUPAC(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
SMILESO=S1(=O)C[C@H]2C[C@H]2C1
InChIInChI=1S/C5H8O2S/c6-8(7)2-4-1-5(4)3-8/h4-5H,1-3H2/t4-,5+
InChIKeyTXRKRQNSAQKHTO-SYDPRGILSA-N
MW132.18 g/mol
LogP0.05
Rot. Bonds

About (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide

(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide (PubChem CID 11116105) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide.

Molecular Properties

Compound Name(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
PubChem CID11116105
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
SMILESO=S1(=O)C[C@H]2C[C@H]2C1
InChIInChI=1S/C5H8O2S/c6-8(7)2-4-1-5(4)3-8/h4-5H,1-3H2/t4-,5+
InChIKeyTXRKRQNSAQKHTO-SYDPRGILSA-N
XLogP0.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
CID 170907548
5-(2-methylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide
CID 146652579
9-(hydroxymethyl)-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-7-ol
CID 115032119
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
(1S,3R,7S,9R)-2,8-dioxa-5λ6,11λ6-dithiatricyclo[7.3.0.03,7]dodecane 5,5,11,11-tetraoxide
CID 11871441
[(3S,4S)-4-azaniumyl-1,1-dioxothiolan-3-yl]azanium dichloride
CID 21206173
(3S,4R)-4-amino-1,1-dioxothiolan-3-ol
CID 1380000
[(2S,3S)-2-(1,1-dioxothietan-3-yl)-1,1-dioxothietan-3-yl]-trimethylazanium
CID 95565798
3λ6-thiatricyclo[3.2.1.02,4]octane 3,3-dioxide
CID 54309768
(3aS,6aR)-N-(benzenesulfonyl)-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 166291996
[(3S,4R)-4-carbonochloridoyloxy-1,1-dioxothiolan-3-yl] carbonochloridate
CID 98144247
1,3,3a,7a-tetrahydro-2-benzothiophene 2,2-dioxide
CID 85085332

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
The IUPAC name of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide (CID 11116105) is (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide.
What is the SMILES notation for (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
The canonical SMILES for (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide is O=S1(=O)C[C@H]2C[C@H]2C1.
What is the InChIKey of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
The InChIKey is TXRKRQNSAQKHTO-SYDPRGILSA-N. The full InChI is InChI=1S/C5H8O2S/c6-8(7)2-4-1-5(4)3-8/h4-5H,1-3H2/t4-,5+.
What are the key properties of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide has a molecular weight of 132.18 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide is sourced from PubChem (CID 11116105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).