[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine

C15H16N2O2S — CID 152708985

IUPAC[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c16-10-12-6-8-14(9-7-12)20(18,19)17-11-15(17)13-4-2-1-3-5-13/h1-9,15H,10-11,16H2
InChIKeyZTEWWFSPUDPNTD-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.89
Rot. Bonds4

About [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine

[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine (PubChem CID 152708985) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
PubChem CID152708985
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c16-10-12-6-8-14(9-7-12)20(18,19)17-11-15(17)13-4-2-1-3-5-13/h1-9,15H,10-11,16H2
InChIKeyZTEWWFSPUDPNTD-UHFFFAOYSA-N
XLogP1.89
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
[4-[[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]methanamine
CID 174860647
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
CID 65319523
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine (CID 152708985) is [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine is NCc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is ZTEWWFSPUDPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-10-12-6-8-14(9-7-12)20(18,19)17-11-15(17)13-4-2-1-3-5-13/h1-9,15H,10-11,16H2.
What are the key properties of [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine?
[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 288.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 152708985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).