2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one

C27H34N2O5S2 — CID 3131230

IUPAC2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc2-3)C1
InChIInChI=1S/C27H34N2O5S2/c1-17-9-18(2)14-28(13-17)35(31,32)21-5-7-23-24-8-6-22(12-26(24)27(30)25(23)11-21)36(33,34)29-15-19(3)10-20(4)16-29/h5-8,11-12,17-20H,9-10,13-16H2,1-4H3
InChIKeySMZIWKQMKPNDNI-UHFFFAOYSA-N
MW530.71 g/mol
LogP4.23
Rot. Bonds4

About 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one

2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one (PubChem CID 3131230) has the molecular formula C27H34N2O5S2 and a molecular weight of 530.71 g/mol. Its IUPAC name is 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one
PubChem CID3131230
Molecular FormulaC27H34N2O5S2
Molecular Weight530.71 g/mol
Exact Mass530.19
IUPAC Name2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc2-3)C1
InChIInChI=1S/C27H34N2O5S2/c1-17-9-18(2)14-28(13-17)35(31,32)21-5-7-23-24-8-6-22(12-26(24)27(30)25(23)11-21)36(33,34)29-15-19(3)10-20(4)16-29/h5-8,11-12,17-20H,9-10,13-16H2,1-4H3
InChIKeySMZIWKQMKPNDNI-UHFFFAOYSA-N
XLogP4.23
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.71
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one?
The IUPAC name of 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one (CID 3131230) is 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc2-3)C1.
What is the InChIKey of 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one?
The InChIKey is SMZIWKQMKPNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5S2/c1-17-9-18(2)14-28(13-17)35(31,32)21-5-7-23-24-8-6-22(12-26(24)27(30)25(23)11-21)36(33,34)29-15-19(3)10-20(4)16-29/h5-8,11-12,17-20H,9-10,13-16H2,1-4H3.
What are the key properties of 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one?
2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one has a molecular weight of 530.71 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(3,5-dimethylpiperidin-1-yl)sulfonyl]fluoren-9-one is sourced from PubChem (CID 3131230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).