1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

C24H32N2S2 — CID 11840207

IUPAC1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
SMILESCC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCC3)cc2c1CCCCC2
InChIInChI=1S/C24H32N2S2/c1-15(2)27-23-19-11-7-5-6-9-17(19)13-21(25-23)22-14-18-10-8-12-20(18)24(26-22)28-16(3)4/h13-16H,5-12H2,1-4H3
InChIKeySDWHJCMOSINDAF-UHFFFAOYSA-N
MW412.67 g/mol
LogP6.90
Rot. Bonds5

About 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine (PubChem CID 11840207) has the molecular formula C24H32N2S2 and a molecular weight of 412.67 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
PubChem CID11840207
Molecular FormulaC24H32N2S2
Molecular Weight412.67 g/mol
Exact Mass412.20
IUPAC Name1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
SMILESCC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCC3)cc2c1CCCCC2
InChIInChI=1S/C24H32N2S2/c1-15(2)27-23-19-11-7-5-6-9-17(19)13-21(25-23)22-14-18-10-8-12-20(18)24(26-22)28-16(3)4/h13-16H,5-12H2,1-4H3
InChIKeySDWHJCMOSINDAF-UHFFFAOYSA-N
XLogP6.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.67
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
The IUPAC name of 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine (CID 11840207) is 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine.
What is the SMILES notation for 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
The canonical SMILES for 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine is CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCC3)cc2c1CCCCC2.
What is the InChIKey of 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
The InChIKey is SDWHJCMOSINDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2S2/c1-15(2)27-23-19-11-7-5-6-9-17(19)13-21(25-23)22-14-18-10-8-12-20(18)24(26-22)28-16(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine has a molecular weight of 412.67 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyl-3-(1-propan-2-ylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine is sourced from PubChem (CID 11840207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).