N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide

C19H22N2O2S — CID 52534632

IUPACN-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C19H22N2O2S/c1-24(22,23)20-14-7-6-12-21(13-14)19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,14,19-20H,6-7,12-13H2,1H3/t14-/m1/s1
InChIKeyMDEFCGXABBFVMA-CQSZACIVSA-N
MW342.46 g/mol
LogP2.77
Rot. Bonds3

About N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide

N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 52534632) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide
PubChem CID52534632
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C19H22N2O2S/c1-24(22,23)20-14-7-6-12-21(13-14)19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,14,19-20H,6-7,12-13H2,1H3/t14-/m1/s1
InChIKeyMDEFCGXABBFVMA-CQSZACIVSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide (CID 52534632) is N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is MDEFCGXABBFVMA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-24(22,23)20-14-7-6-12-21(13-14)19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,14,19-20H,6-7,12-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 52534632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).