(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide

C17H15NO4S — CID 161250182

IUPAC(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide
SMILESO=S1OC2[C@H](COC[C@@H]2n2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C17H15NO4S/c19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18/h1-8,15-17H,9-10H2/t15-,16-,17?,23?/m0/s1
InChIKeyOMWAKEGAAYDCBN-RVSBLVPGSA-N
MW329.38 g/mol
LogP2.73
Rot. Bonds1

About (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide

(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide (PubChem CID 161250182) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide.

Molecular Properties

Compound Name(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide
PubChem CID161250182
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide
SMILESO=S1OC2[C@H](COC[C@@H]2n2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C17H15NO4S/c19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18/h1-8,15-17H,9-10H2/t15-,16-,17?,23?/m0/s1
InChIKeyOMWAKEGAAYDCBN-RVSBLVPGSA-N
XLogP2.73
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aS,4R,7aR)-4-carbazol-9-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
CID 118368384
9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole
CID 91143240
3-carbazol-9-ylcycloheptane-1,2-diol
CID 126531025
cis-(1R,2S)-3-carbazol-9-ylcycloheptane-1,2-diol
CID 140895217
3-carbazol-9-ylcyclohexane-1,2-diol
CID 123529337
9-(2,5-dimethylcyclohexyl)carbazole
CID 118351552
3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one
CID 175271959
9-cyclobutylcarbazole
CID 66713557
3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylic acid
CID 126673582
9-cyclononylcarbazole
CID 139570160
9-(2,2-dichlorocyclopropyl)carbazole
CID 13171960
(3S,4S)-4-carbazol-9-ylpiperidin-3-ol
CID 76902154

Frequently Asked Questions

What is the IUPAC name of (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide?
The IUPAC name of (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide (CID 161250182) is (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide.
What is the SMILES notation for (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide?
The canonical SMILES for (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide is O=S1OC2[C@H](COC[C@@H]2n2c3ccccc3c3ccccc32)O1.
What is the InChIKey of (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide?
The InChIKey is OMWAKEGAAYDCBN-RVSBLVPGSA-N. The full InChI is InChI=1S/C17H15NO4S/c19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18/h1-8,15-17H,9-10H2/t15-,16-,17?,23?/m0/s1.
What are the key properties of (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide?
(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide has a molecular weight of 329.38 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide is sourced from PubChem (CID 161250182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).