1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine

C19H17NO2S — CID 134924826

IUPAC1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine
SMILESCOc1ccc2ccccc2c1[S@](=O)N1CC1c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-22-18-12-11-14-7-5-6-10-16(14)19(18)23(21)20-13-17(20)15-8-3-2-4-9-15/h2-12,17H,13H2,1H3/t17?,20?,23-/m0/s1
InChIKeyNMEATAVYNTVFPS-MLFGXNJISA-N
MW323.42 g/mol
LogP3.93
Rot. Bonds4

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

1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine (PubChem CID 134924826) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine.

Molecular Properties

Compound Name1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine
PubChem CID134924826
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine
SMILESCOc1ccc2ccccc2c1[S@](=O)N1CC1c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-22-18-12-11-14-7-5-6-10-16(14)19(18)23(21)20-13-17(20)15-8-3-2-4-9-15/h2-12,17H,13H2,1H3/t17?,20?,23-/m0/s1
InChIKeyNMEATAVYNTVFPS-MLFGXNJISA-N
XLogP3.93
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.93
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-naphthalen-1-ylaziridine
CID 134925710
1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
CID 28921899
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine
CID 1484851
N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide
CID 85370731
(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
CID 11875077
(Z,1R)-2-(2-methoxynaphthalen-1-yl)sulfinyl-1-phenylhept-2-en-1-ol
CID 102246508
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
CID 101134260
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine?
The IUPAC name of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine (CID 134924826) is 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine.
What is the SMILES notation for 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine?
The canonical SMILES for 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine is COc1ccc2ccccc2c1[S@](=O)N1CC1c1ccccc1.
What is the InChIKey of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine?
The InChIKey is NMEATAVYNTVFPS-MLFGXNJISA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-18-12-11-14-7-5-6-10-16(14)19(18)23(21)20-13-17(20)15-8-3-2-4-9-15/h2-12,17H,13H2,1H3/t17?,20?,23-/m0/s1.
What are the key properties of 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine?
1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine has a molecular weight of 323.42 g/mol, XLogP of 3.93, 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-phenylaziridine is sourced from PubChem (CID 134924826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).