(1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide

C10H17NO2S — CID 29413593

IUPAC(1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
SMILESCC1(C)[C@H]2CC[C@@]13CNS(=O)(=O)[C@H]3C2
InChIInChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-11-14(12,13)8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10-/m0/s1
InChIKeySTJNBFBNHBGLRO-NRPADANISA-N
MW215.32 g/mol
LogP1.11
Rot. Bonds

About (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide

(1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide (PubChem CID 29413593) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide.

Molecular Properties

Compound Name(1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
PubChem CID29413593
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
SMILESCC1(C)[C@H]2CC[C@@]13CNS(=O)(=O)[C@H]3C2
InChIInChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-11-14(12,13)8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10-/m0/s1
InChIKeySTJNBFBNHBGLRO-NRPADANISA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide with MolForge

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Related Compounds

(1R,5S,7R)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
CID 86311830
10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide
CID 13183373
(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
CID 86814862
(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
CID 11819992
1-(10,10-dimethyl-4,4-dioxo-4λ6-thia-3-azatricyclo[5.2.1.01,5]decan-3-yl)-4-methylpentan-1-one
CID 57030281
1-[(1S,5R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-phosphorosoethanone
CID 71148886
(2S)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-hydroxy-2-methoxyethanone
CID 11088001
1-[(1R,5R,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]propan-1-one
CID 24879638
(2R)-1-[(1S)-10,10-dimethyl-4,4-dioxo-4λ6-thia-3-azatricyclo[5.2.1.01,5]decan-3-yl]-2-propan-2-yloctan-1-one
CID 57178409
2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane
CID 135008008
[(1S)-2,2-dimethylcyclopropyl]-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]methanone
CID 86814881
1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-methylbut-2-en-1-one
CID 162473195

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
The IUPAC name of (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide (CID 29413593) is (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide.
What is the SMILES notation for (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
The canonical SMILES for (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide is CC1(C)[C@H]2CC[C@@]13CNS(=O)(=O)[C@H]3C2.
What is the InChIKey of (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
The InChIKey is STJNBFBNHBGLRO-NRPADANISA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-11-14(12,13)8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10-/m0/s1.
What are the key properties of (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
(1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7S)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide is sourced from PubChem (CID 29413593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).