N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine

C26H35NO2S — CID 159384134

IUPACN-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
SMILESCNC1c2ccccc2-c2cc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)ccc21
InChIInChI=1S/C26H35NO2S/c1-18(2)30(28,29)17-21-12-9-19(10-13-21)8-11-20-14-15-24-25(16-20)22-6-4-5-7-23(22)26(24)27-3/h4-7,14-16,18-19,21,26-27H,8-13,17H2,1-3H3
InChIKeyCXZDWAQXNSFMLJ-UHFFFAOYSA-N
MW425.64 g/mol
LogP5.54
Rot. Bonds7

About N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine

N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine (PubChem CID 159384134) has the molecular formula C26H35NO2S and a molecular weight of 425.64 g/mol. Its IUPAC name is N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
PubChem CID159384134
Molecular FormulaC26H35NO2S
Molecular Weight425.64 g/mol
Exact Mass425.24
IUPAC NameN-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
SMILESCNC1c2ccccc2-c2cc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)ccc21
InChIInChI=1S/C26H35NO2S/c1-18(2)30(28,29)17-21-12-9-19(10-13-21)8-11-20-14-15-24-25(16-20)22-6-4-5-7-23(22)26(24)27-3/h4-7,14-16,18-19,21,26-27H,8-13,17H2,1-3H3
InChIKeyCXZDWAQXNSFMLJ-UHFFFAOYSA-N
XLogP5.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine?
The IUPAC name of N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine (CID 159384134) is N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine.
What is the SMILES notation for N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine?
The canonical SMILES for N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine is CNC1c2ccccc2-c2cc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)ccc21.
What is the InChIKey of N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine?
The InChIKey is CXZDWAQXNSFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2S/c1-18(2)30(28,29)17-21-12-9-19(10-13-21)8-11-20-14-15-24-25(16-20)22-6-4-5-7-23(22)26(24)27-3/h4-7,14-16,18-19,21,26-27H,8-13,17H2,1-3H3.
What are the key properties of N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine?
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine has a molecular weight of 425.64 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine is sourced from PubChem (CID 159384134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).