1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine

C15H16N2O4S2 — CID 11646038

IUPAC1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc3c(c(S(C)(=O)=O)n2)CCC3)n1
InChIInChI=1S/C15H16N2O4S2/c1-22(18,19)14-8-4-7-12(16-14)13-9-10-5-3-6-11(10)15(17-13)23(2,20)21/h4,7-9H,3,5-6H2,1-2H3
InChIKeyJAKOYMNMQIBIMT-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.44
Rot. Bonds3

About 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine

1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 11646038) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID11646038
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc3c(c(S(C)(=O)=O)n2)CCC3)n1
InChIInChI=1S/C15H16N2O4S2/c1-22(18,19)14-8-4-7-12(16-14)13-9-10-5-3-6-11(10)15(17-13)23(2,20)21/h4,7-9H,3,5-6H2,1-2H3
InChIKeyJAKOYMNMQIBIMT-UHFFFAOYSA-N
XLogP1.44
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-
CID 397515
1-methylsulfanyl-3-(1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 397514
1-methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5,6,7,8-tetrahydroisoquinoline
CID 397516
1-(methylsulfonyl)-3-[1-(methylsulfonyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 397517
1-methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 397520
1-(methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 397521
13,16-Dioxa-10,19-dithia-27,28-diazapentacyclo[18.6.1.12,9.04,8.021,25]octacosa-1(27),2(28),3,8,20,25-hexaene
CID 24801686
13-Oxa-10,16-dithia-24,25-diazapentacyclo[15.6.1.12,9.04,8.018,22]pentacosa-1(24),2(25),3,8,17,22-hexaene
CID 101460141
13,16,19-Trioxa-10,22-dithia-30,31-diazapentacyclo[21.6.1.12,9.04,8.024,28]hentriaconta-1(30),2(31),3,8,23,28-hexaene
CID 101460142
13,16,19,22-Tetraoxa-10,25-dithia-33,34-diazapentacyclo[24.6.1.12,9.04,8.027,31]tetratriaconta-1(33),2(34),3,8,26,31-hexaene
CID 101460143
1,1'-Bis(isopropylsulfonyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-bisisoquinoline
CID 4624736
7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 11728654

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 11646038) is 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine is CS(=O)(=O)c1cccc(-c2cc3c(c(S(C)(=O)=O)n2)CCC3)n1.
What is the InChIKey of 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is JAKOYMNMQIBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-22(18,19)14-8-4-7-12(16-14)13-9-10-5-3-6-11(10)15(17-13)23(2,20)21/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 352.44 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(6-methylsulfonyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 11646038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).