N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide

C17H20N2O3S — CID 892430

IUPACN-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCOCC1
InChIInChI=1S/C17H20N2O3S/c1-23(20,21)18-16-13-6-2-4-12-5-3-7-14(15(12)13)17(16)19-8-10-22-11-9-19/h2-7,16-18H,8-11H2,1H3/t16-,17-/m0/s1
InChIKeyDIRZRJPKBPDNAD-IRXDYDNUSA-N
MW332.43 g/mol
LogP1.82
Rot. Bonds3

About N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide

N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide (PubChem CID 892430) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
PubChem CID892430
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCOCC1
InChIInChI=1S/C17H20N2O3S/c1-23(20,21)18-16-13-6-2-4-12-5-3-7-14(15(12)13)17(16)19-8-10-22-11-9-19/h2-7,16-18H,8-11H2,1H3/t16-,17-/m0/s1
InChIKeyDIRZRJPKBPDNAD-IRXDYDNUSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide (CID 892430) is N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCOCC1.
What is the InChIKey of N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
The InChIKey is DIRZRJPKBPDNAD-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-23(20,21)18-16-13-6-2-4-12-5-3-7-14(15(12)13)17(16)19-8-10-22-11-9-19/h2-7,16-18H,8-11H2,1H3/t16-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide?
N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-morpholin-4-yl-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide is sourced from PubChem (CID 892430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).