1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine

C23H19NO2S — CID 134925710

IUPAC1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine
SMILESCOc1ccc2ccccc2c1[S@](=O)N1CC1c1cccc2ccccc12
InChIInChI=1S/C23H19NO2S/c1-26-22-14-13-17-8-3-5-11-19(17)23(22)27(25)24-15-21(24)20-12-6-9-16-7-2-4-10-18(16)20/h2-14,21H,15H2,1H3/t21?,24?,27-/m0/s1
InChIKeyZYKFRFPOTYLYOU-CGYPVTCASA-N
MW373.48 g/mol
LogP5.08
Rot. Bonds4

About 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine

1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine (PubChem CID 134925710) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine.

Molecular Properties

Compound Name1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine
PubChem CID134925710
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine
SMILESCOc1ccc2ccccc2c1[S@](=O)N1CC1c1cccc2ccccc12
InChIInChI=1S/C23H19NO2S/c1-26-22-14-13-17-8-3-5-11-19(17)23(22)27(25)24-15-21(24)20-12-6-9-16-7-2-4-10-18(16)20/h2-14,21H,15H2,1H3/t21?,24?,27-/m0/s1
InChIKeyZYKFRFPOTYLYOU-CGYPVTCASA-N
XLogP5.08
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine
CID 134924826
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
CID 28921899
1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine
CID 1484851
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
CID 11875077
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
3-methoxy-4-naphthalen-1-ylfuran
CID 90731593
N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide
CID 85370731
2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
CID 101134260
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine?
The IUPAC name of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine (CID 134925710) is 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine.
What is the SMILES notation for 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine?
The canonical SMILES for 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine is COc1ccc2ccccc2c1[S@](=O)N1CC1c1cccc2ccccc12.
What is the InChIKey of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine?
The InChIKey is ZYKFRFPOTYLYOU-CGYPVTCASA-N. The full InChI is InChI=1S/C23H19NO2S/c1-26-22-14-13-17-8-3-5-11-19(17)23(22)27(25)24-15-21(24)20-12-6-9-16-7-2-4-10-18(16)20/h2-14,21H,15H2,1H3/t21?,24?,27-/m0/s1.
What are the key properties of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine?
1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine has a molecular weight of 373.48 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine is sourced from PubChem (CID 134925710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).