2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole

C22H24N2S — CID 22445061

IUPAC2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole
SMILESCC(C)=C1C2CCN(CC2)C1Sc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H24N2S/c1-14(2)21-15-9-11-24(12-10-15)22(21)25-16-7-8-18-17-5-3-4-6-19(17)23-20(18)13-16/h3-8,13,15,22-23H,9-12H2,1-2H3
InChIKeyDULDQGSJKUQYDE-UHFFFAOYSA-N
MW348.52 g/mol
LogP5.80
Rot. Bonds2

About 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole

2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole (PubChem CID 22445061) has the molecular formula C22H24N2S and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole.

Molecular Properties

Compound Name2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole
PubChem CID22445061
Molecular FormulaC22H24N2S
Molecular Weight348.52 g/mol
Exact Mass348.17
IUPAC Name2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole
SMILESCC(C)=C1C2CCN(CC2)C1Sc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H24N2S/c1-14(2)21-15-9-11-24(12-10-15)22(21)25-16-7-8-18-17-5-3-4-6-19(17)23-20(18)13-16/h3-8,13,15,22-23H,9-12H2,1-2H3
InChIKeyDULDQGSJKUQYDE-UHFFFAOYSA-N
XLogP5.80
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
CID 67254218
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole
CID 67720865
2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole
CID 18942268
CID 70460275
CID 70460275
3-cyclopropyl-9H-carbazole
CID 144848262
bromomethane;9H-carbazole
CID 67594562
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
CID 22829467
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole?
The IUPAC name of 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole (CID 22445061) is 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole.
What is the SMILES notation for 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole?
The canonical SMILES for 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole is CC(C)=C1C2CCN(CC2)C1Sc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole?
The InChIKey is DULDQGSJKUQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S/c1-14(2)21-15-9-11-24(12-10-15)22(21)25-16-7-8-18-17-5-3-4-6-19(17)23-20(18)13-16/h3-8,13,15,22-23H,9-12H2,1-2H3.
What are the key properties of 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole?
2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole has a molecular weight of 348.52 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylidene-1-azabicyclo[2.2.2]octan-2-yl)sulfanyl]-9H-carbazole is sourced from PubChem (CID 22445061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).