N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide

C18H22N2O2S — CID 892288

IUPACN-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCCCC1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)19-17-14-9-5-7-13-8-6-10-15(16(13)14)18(17)20-11-3-2-4-12-20/h5-10,17-19H,2-4,11-12H2,1H3/t17-,18-/m1/s1
InChIKeyJQILUMBUNLQQNH-QZTJIDSGSA-N
MW330.45 g/mol
LogP2.97
Rot. Bonds3

About N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide

N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide (PubChem CID 892288) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
PubChem CID892288
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCCCC1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)19-17-14-9-5-7-13-8-6-10-15(16(13)14)18(17)20-11-3-2-4-12-20/h5-10,17-19H,2-4,11-12H2,1H3/t17-,18-/m1/s1
InChIKeyJQILUMBUNLQQNH-QZTJIDSGSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide (CID 892288) is N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCCCC1.
What is the InChIKey of N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
The InChIKey is JQILUMBUNLQQNH-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-23(21,22)19-17-14-9-5-7-13-8-6-10-15(16(13)14)18(17)20-11-3-2-4-12-20/h5-10,17-19H,2-4,11-12H2,1H3/t17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-piperidin-1-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide is sourced from PubChem (CID 892288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).